3-(benzenesulfonyl)-N-cyclohexylpropanamide

C15H21NO3S — CID 6458857

IUPAC3-(benzenesulfonyl)-N-cyclohexylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H21NO3S/c17-15(16-13-7-3-1-4-8-13)11-12-20(18,19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17)
InChIKeyKFVBEEXUEPTUJB-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.30
Rot. Bonds5

About 3-(benzenesulfonyl)-N-cyclohexylpropanamide

3-(benzenesulfonyl)-N-cyclohexylpropanamide (PubChem CID 6458857) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-cyclohexylpropanamide
PubChem CID6458857
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-(benzenesulfonyl)-N-cyclohexylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H21NO3S/c17-15(16-13-7-3-1-4-8-13)11-12-20(18,19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17)
InChIKeyKFVBEEXUEPTUJB-UHFFFAOYSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
N-cyclopropyl-3-naphthalen-2-ylsulfonylpropanamide
CID 19584005
3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
CID 136664987
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
3-(benzenesulfonyl)-N-[(3S,6R)-1-methyl-6-(pyrrolidine-1-carbonyl)azepan-3-yl]propanamide
CID 175644647
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150
3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide
CID 47417650
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-cyclooctyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
CID 20927548

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-cyclohexylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-cyclohexylpropanamide (CID 6458857) is 3-(benzenesulfonyl)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-cyclohexylpropanamide is O=C(CCS(=O)(=O)c1ccccc1)NC1CCCCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-cyclohexylpropanamide?
The InChIKey is KFVBEEXUEPTUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-15(16-13-7-3-1-4-8-13)11-12-20(18,19)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-cyclohexylpropanamide?
3-(benzenesulfonyl)-N-cyclohexylpropanamide has a molecular weight of 295.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-cyclohexylpropanamide is sourced from PubChem (CID 6458857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).