(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

C16H16Cl2N2O3S — CID 7318745

IUPAC(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-10-9-13(18)5-8-15(10)19-16(21)11(2)20-24(22,23)14-6-3-12(17)4-7-14/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyQPYWKWULKUSYAZ-NSHDSACASA-N
MW387.29 g/mol
LogP3.61
Rot. Bonds5

About (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide

(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 7318745) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID7318745
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-10-9-13(18)5-8-15(10)19-16(21)11(2)20-24(22,23)14-6-3-12(17)4-7-14/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyQPYWKWULKUSYAZ-NSHDSACASA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41329496
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
(2S)-N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7366747
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 50740247
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)propanamide
CID 50740258
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2204915

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide (CID 7318745) is (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is Cc1cc(Cl)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is QPYWKWULKUSYAZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-10-9-13(18)5-8-15(10)19-16(21)11(2)20-24(22,23)14-6-3-12(17)4-7-14/h3-9,11,20H,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide?
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 387.29 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 7318745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).