3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide

C16H22N2O2S — CID 62407232

IUPAC3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1
InChIInChI=1S/C16H22N2O2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)15-10-6-7-13(11-15)12-17/h6-7,10-11,14,16,18H,2-5,8-9H2,1H3
InChIKeyANFRFGFZBVRIPP-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.20
Rot. Bonds5

About 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide

3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide (PubChem CID 62407232) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
PubChem CID62407232
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1
InChIInChI=1S/C16H22N2O2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)15-10-6-7-13(11-15)12-17/h6-7,10-11,14,16,18H,2-5,8-9H2,1H3
InChIKeyANFRFGFZBVRIPP-UHFFFAOYSA-N
XLogP3.20
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
3-cyano-N-(1-cyanobutan-2-yl)benzenesulfonamide
CID 62646004
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
4-bromo-N-(1-cyclohexylpropyl)-3-fluorobenzenesulfonamide
CID 107650272
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
propan-2-yl (2S)-2-[(3-cyanophenyl)sulfonylamino]propanoate
CID 124588327
N-but-3-en-2-yl-3-cyanobenzenesulfonamide
CID 103750108
3-(1-cyclopropylpropylamino)benzonitrile
CID 64918582
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide (CID 62407232) is 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1.
What is the InChIKey of 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide?
The InChIKey is ANFRFGFZBVRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-16(14-8-4-3-5-9-14)18-21(19,20)15-10-6-7-13(11-15)12-17/h6-7,10-11,14,16,18H,2-5,8-9H2,1H3.
What are the key properties of 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide?
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide is sourced from PubChem (CID 62407232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).