2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide

C17H19ClN2O3S — CID 50740249

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11-4-9-16(12(2)10-11)19-17(21)13(3)20-24(22,23)15-7-5-14(18)6-8-15/h4-10,13,20H,1-3H3,(H,19,21)
InChIKeyGYIMAIFWQSORLN-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.26
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide

2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 50740249) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
PubChem CID50740249
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-11-4-9-16(12(2)10-11)19-17(21)13(3)20-24(22,23)15-7-5-14(18)6-8-15/h4-10,13,20H,1-3H3,(H,19,21)
InChIKeyGYIMAIFWQSORLN-UHFFFAOYSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41329496
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 43890350
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 50740247
(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
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
(2R)-N-(4-bromo-2-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41331452

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide (CID 50740249) is 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is GYIMAIFWQSORLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-4-9-16(12(2)10-11)19-17(21)13(3)20-24(22,23)15-7-5-14(18)6-8-15/h4-10,13,20H,1-3H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 50740249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).