3-(benzenesulfonamido)-N-cyclohexylpropanamide

C15H22N2O3S — CID 17225810

IUPAC3-(benzenesulfonamido)-N-cyclohexylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H22N2O3S/c18-15(17-13-7-3-1-4-8-13)11-12-16-21(19,20)14-9-5-2-6-10-14/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,17,18)
InChIKeyZKCIXWBKSRHOAY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.80
Rot. Bonds6

About 3-(benzenesulfonamido)-N-cyclohexylpropanamide

3-(benzenesulfonamido)-N-cyclohexylpropanamide (PubChem CID 17225810) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-cyclohexylpropanamide
PubChem CID17225810
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-(benzenesulfonamido)-N-cyclohexylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H22N2O3S/c18-15(17-13-7-3-1-4-8-13)11-12-16-21(19,20)14-9-5-2-6-10-14/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,17,18)
InChIKeyZKCIXWBKSRHOAY-UHFFFAOYSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
CID 8880051
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94694763
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
CID 95191262
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide
CID 159898736
N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 18283671

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-cyclohexylpropanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-cyclohexylpropanamide (CID 17225810) is 3-(benzenesulfonamido)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-cyclohexylpropanamide is O=C(CCNS(=O)(=O)c1ccccc1)NC1CCCCC1.
What is the InChIKey of 3-(benzenesulfonamido)-N-cyclohexylpropanamide?
The InChIKey is ZKCIXWBKSRHOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-15(17-13-7-3-1-4-8-13)11-12-16-21(19,20)14-9-5-2-6-10-14/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,17,18).
What are the key properties of 3-(benzenesulfonamido)-N-cyclohexylpropanamide?
3-(benzenesulfonamido)-N-cyclohexylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-cyclohexylpropanamide is sourced from PubChem (CID 17225810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).