2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

C15H16ClN3O3S — CID 164614642

IUPAC2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)18-10-15(20)19-9-11-1-7-14(8-2-11)23(17,21)22/h1-8,18H,9-10H2,(H,19,20)(H2,17,21,22)
InChIKeyFLJTYTXOSVYZSU-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.72
Rot. Bonds6

About 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 164614642) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID164614642
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)18-10-15(20)19-9-11-1-7-14(8-2-11)23(17,21)22/h1-8,18H,9-10H2,(H,19,20)(H2,17,21,22)
InChIKeyFLJTYTXOSVYZSU-UHFFFAOYSA-N
XLogP1.72
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 2315573
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
2-[(3-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44580808
2-[(2-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581170

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 164614642) is 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is FLJTYTXOSVYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-12-3-5-13(6-4-12)18-10-15(20)19-9-11-1-7-14(8-2-11)23(17,21)22/h1-8,18H,9-10H2,(H,19,20)(H2,17,21,22).
What are the key properties of 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 353.83 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 164614642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).