3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide

C17H19ClN2O3S — CID 26538610

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-6-7-16(13(2)10-12)20-17(21)8-9-19-24(22,23)15-5-3-4-14(18)11-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyMFBQXLZHUYASEW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.26
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 26538610) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
PubChem CID26538610
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-6-7-16(13(2)10-12)20-17(21)8-9-19-24(22,23)15-5-3-4-14(18)11-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyMFBQXLZHUYASEW-UHFFFAOYSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497
N-(4-chloro-2-methylphenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112998154
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112996402
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86884406

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide (CID 26538610) is 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is MFBQXLZHUYASEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-6-7-16(13(2)10-12)20-17(21)8-9-19-24(22,23)15-5-3-4-14(18)11-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 366.87 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 26538610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).