4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide

C21H17ClFN3O4S — CID 134604003

IUPAC4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H17ClFN3O4S/c22-18-4-2-1-3-13(18)11-20(27)25-16-9-10-17(19(12-16)31(24,29)30)21(28)26-15-7-5-14(23)6-8-15/h1-10,12H,11H2,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyHXCYKEYMMNUGRC-UHFFFAOYSA-N
MW461.90 g/mol
LogP3.56
Rot. Bonds6

About 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide

4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide (PubChem CID 134604003) has the molecular formula C21H17ClFN3O4S and a molecular weight of 461.90 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
PubChem CID134604003
Molecular FormulaC21H17ClFN3O4S
Molecular Weight461.90 g/mol
Exact Mass461.06
IUPAC Name4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H17ClFN3O4S/c22-18-4-2-1-3-13(18)11-20(27)25-16-9-10-17(19(12-16)31(24,29)30)21(28)26-15-7-5-14(23)6-8-15/h1-10,12H,11H2,(H,25,27)(H,26,28)(H2,24,29,30)
InChIKeyHXCYKEYMMNUGRC-UHFFFAOYSA-N
XLogP3.56
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 163625310
2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
CID 134588175
N-[4-[1-amino-3-[2-(trifluoromethoxy)ethylimino]prop-1-en-2-yl]-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 167629529
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
N-[4-(2-azabicyclo[2.2.1]heptan-5-yloxymethyl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 164596506
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
2-(2-chlorophenyl)-N-[4-[1-[(6-fluoro-3-pyridinyl)oxy]ethyl]-3-sulfamoylphenyl]acetamide
CID 164596523
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide?
The IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide (CID 134604003) is 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide?
The canonical SMILES for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide?
The InChIKey is HXCYKEYMMNUGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O4S/c22-18-4-2-1-3-13(18)11-20(27)25-16-9-10-17(19(12-16)31(24,29)30)21(28)26-15-7-5-14(23)6-8-15/h1-10,12H,11H2,(H,25,27)(H,26,28)(H2,24,29,30).
What are the key properties of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide?
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide has a molecular weight of 461.90 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide is sourced from PubChem (CID 134604003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).