(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide

C16H18ClN3O3S — CID 31267963

IUPAC(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESC[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-11(16(21)19-15-5-3-4-12(17)10-15)18-13-6-8-14(9-7-13)20-24(2,22)23/h3-11,18,20H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyWTHVVVPWMHKSJB-NSHDSACASA-N
MW367.86 g/mol
LogP3.15
Rot. Bonds6

About (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide

(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide (PubChem CID 31267963) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
PubChem CID31267963
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
SMILESC[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-11(16(21)19-15-5-3-4-12(17)10-15)18-13-6-8-14(9-7-13)20-24(2,22)23/h3-11,18,20H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyWTHVVVPWMHKSJB-NSHDSACASA-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

(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 51333962
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 51969626
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
N-(3-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 24561871
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide (CID 31267963) is (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide is C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
The InChIKey is WTHVVVPWMHKSJB-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-11(16(21)19-15-5-3-4-12(17)10-15)18-13-6-8-14(9-7-13)20-24(2,22)23/h3-11,18,20H,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide?
(2S)-N-(3-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 (2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide is sourced from PubChem (CID 31267963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).