2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide

C17H19ClN2O3S — CID 50740247

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-11-5-4-6-12(2)16(11)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)
InChIKeyNQCISMSBDCIXNZ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.26
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide

2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 50740247) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID50740247
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-11-5-4-6-12(2)16(11)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21)
InChIKeyNQCISMSBDCIXNZ-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

(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 124549696
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dibromo-6-methylphenyl)propanamide
CID 50740258
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 4552394
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide (CID 50740247) is 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is NQCISMSBDCIXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-5-4-6-12(2)16(11)19-17(21)13(3)20-24(22,23)15-9-7-14(18)8-10-15/h4-10,13,20H,1-3H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-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-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 50740247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).