N-(3-chlorophenyl)sulfonyl-4-methylpentanamide

C12H16ClNO3S — CID 47233055

IUPACN-(3-chlorophenyl)sulfonyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO3S/c1-9(2)6-7-12(15)14-18(16,17)11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyHQWWQBXYMSYWEN-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.58
Rot. Bonds5

About N-(3-chlorophenyl)sulfonyl-4-methylpentanamide

N-(3-chlorophenyl)sulfonyl-4-methylpentanamide (PubChem CID 47233055) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-4-methylpentanamide
PubChem CID47233055
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC NameN-(3-chlorophenyl)sulfonyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO3S/c1-9(2)6-7-12(15)14-18(16,17)11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyHQWWQBXYMSYWEN-UHFFFAOYSA-N
XLogP2.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
CID 47269873
4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 145138139
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
(3-chlorophenyl)sulfonylurea
CID 117060605
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
[2-(3-methylbutylamino)-2-oxoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 8848963
N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
CID 86997837

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-4-methylpentanamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-4-methylpentanamide (CID 47233055) is N-(3-chlorophenyl)sulfonyl-4-methylpentanamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-4-methylpentanamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-4-methylpentanamide is CC(C)CCC(=O)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-4-methylpentanamide?
The InChIKey is HQWWQBXYMSYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9(2)6-7-12(15)14-18(16,17)11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chlorophenyl)sulfonyl-4-methylpentanamide?
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide has a molecular weight of 289.78 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-4-methylpentanamide is sourced from PubChem (CID 47233055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).