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N-(2-fluoro-4-sulfamoylphenyl)acetamide
CAS:
402-22-2
MW:
232.23
MF:
C8H9FN2O3S
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
N-(2-fluoro-4-sulfamoylphenyl)acetamide
1.2 Synonyms
[402-22-2]; Acetamide, N-[4-(aminosulfonyl)-2-fluorophenyl]-; acetamide,n-[4-(aminosulfonyl)-2-fluorophenyl]-; MFCD11101504; N-(2-Fluoro-4-sulfamoyl-phenyl)-acetamide;
1.3 CAS No.
402-22-2
1.4 CID
23644664
1.5 Molecular Formula
C8H9FN2O3S
1.6 Inchi
InChI=1S/C8H9FN2O3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)(H2,10,13,14)
1.7 InChkey
YTHYXJIVXIFMCE-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)F
1.9 Isomers Smiles
CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)F
2. Synthesis Route
402-22-2
Total: 3 Synthesis Route
349-71-3
2 Suppliers
402-22-2
2 Suppliers
348-54-9
166 Suppliers
402-22-2
2 Suppliers
3. Precursor and Product
precursor:
348-54-9
399-31-5
349-71-3
product:
2368-84-5
4. Computed Properties
Molecular Weight:
232.23g/mol
Molecular Formula:
C
8
H
9
FN
2
O
3
S
Compound Is Canonicalized:
True
XLogP3-AA:
232.03179149
Monoisotopic Mass:
232.03179149
Complexity:
338
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Topological Polar Surface Area:
97.6
Heavy Atom Count::
15
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccBzMQBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwQQQAAACAiB0AgywYLAAAKIACVSUHDCABAhAgAIiBgAZIgIICLAkZGEIAhglADIyAcQAAAAAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==
5. Toltal 2 Suppliers
View more
Reliable Pharma Technology (Shanghai) Co., Ltd.
Tel:
Update Time:
2019/03/29
inquire
Shuanghe Bio
Tel:
Update Time:
2019/02/25
inquire
6. Realated Product Infomation
2-(pyrrolidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
cas:91533-02-7
2-[4-(2-Phenylethenylsulfonyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)acetamide
cas:851274-56-1
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-sulfamoylphenyl)acetamide
cas:63203-16-7
N-(4-sulfamoylphenyl)cyclopropanecarboxamide
cas:23745-32-6
3-(2-sulfamoylphenyl)benzoic acid
cas:893736-84-0
2-{[5-(2-Hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
cas:717874-27-6
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 2 Suppliers
6.
Realated Product Infomation
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