N-(benzenesulfonyl)-4-methylpentanamide

C12H17NO3S — CID 47108729

IUPACN-(benzenesulfonyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(2)8-9-12(14)13-17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyKOERINLYWHCSSZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.93
Rot. Bonds5

About N-(benzenesulfonyl)-4-methylpentanamide

N-(benzenesulfonyl)-4-methylpentanamide (PubChem CID 47108729) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-methylpentanamide
PubChem CID47108729
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(benzenesulfonyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(2)8-9-12(14)13-17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyKOERINLYWHCSSZ-UHFFFAOYSA-N
XLogP1.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
CID 103308862
4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 145138139
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
N-(benzenesulfonyl)-2-[1-(2-methylpropyl)cyclopentyl]acetamide
CID 20766379
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
CID 103308815
N-(benzenesulfonyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 86997724
(2S)-2-(benzenesulfonamido)-5-(methylamino)-5-oxopentanoic acid
CID 131860438
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 87011276
ethyl 3-[[4-(benzenesulfonamido)-4-oxobutanoyl]amino]propanoate
CID 172991928

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-methylpentanamide?
The IUPAC name of N-(benzenesulfonyl)-4-methylpentanamide (CID 47108729) is N-(benzenesulfonyl)-4-methylpentanamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-methylpentanamide?
The canonical SMILES for N-(benzenesulfonyl)-4-methylpentanamide is CC(C)CCC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-4-methylpentanamide?
The InChIKey is KOERINLYWHCSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10(2)8-9-12(14)13-17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(benzenesulfonyl)-4-methylpentanamide?
N-(benzenesulfonyl)-4-methylpentanamide has a molecular weight of 255.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-methylpentanamide is sourced from PubChem (CID 47108729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).