N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide

C16H18ClN3O3S — CID 4968626

IUPACN-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-11(16(21)20-14-4-2-3-13(17)9-14)19-10-12-5-7-15(8-6-12)24(18,22)23/h2-9,11,19H,10H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyVYWYDQAHTSWRJA-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.10
Rot. Bonds6

About N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide

N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide (PubChem CID 4968626) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
PubChem CID4968626
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-11(16(21)20-14-4-2-3-13(17)9-14)19-10-12-5-7-15(8-6-12)24(18,22)23/h2-9,11,19H,10H2,1H3,(H,20,21)(H2,18,22,23)
InChIKeyVYWYDQAHTSWRJA-UHFFFAOYSA-N
XLogP2.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
CID 2210370
(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
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide (CID 4968626) is N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide is CC(NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
The InChIKey is VYWYDQAHTSWRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-11(16(21)20-14-4-2-3-13(17)9-14)19-10-12-5-7-15(8-6-12)24(18,22)23/h2-9,11,19H,10H2,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide has a molecular weight of 367.86 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide is sourced from PubChem (CID 4968626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).