N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide

C16H18ClN3O3S — CID 46512777

IUPACN-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-11(16(21)19-15-6-4-3-5-14(15)17)18-12-7-9-13(10-8-12)20-24(2,22)23/h3-11,18,20H,1-2H3,(H,19,21)
InChIKeyASOUMLSZDBWNLQ-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.15
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide

N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide (PubChem CID 46512777) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
PubChem CID46512777
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-11(16(21)19-15-6-4-3-5-14(15)17)18-12-7-9-13(10-8-12)20-24(2,22)23/h3-11,18,20H,1-2H3,(H,19,21)
InChIKeyASOUMLSZDBWNLQ-UHFFFAOYSA-N
XLogP3.15
TPSA87.30 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 ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 51333962
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide
CID 86861166
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
CID 96548422
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18289314
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide (CID 46512777) is N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide is CC(Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The InChIKey is ASOUMLSZDBWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-11(16(21)19-15-6-4-3-5-14(15)17)18-12-7-9-13(10-8-12)20-24(2,22)23/h3-11,18,20H,1-2H3,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide has a molecular weight of 367.86 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide is sourced from PubChem (CID 46512777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).