3-cyano-N-(cycloheptylmethyl)benzenesulfonamide

C15H20N2O2S — CID 3671266

IUPAC3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2CCCCCC2)c1
InChIInChI=1S/C15H20N2O2S/c16-11-14-8-5-9-15(10-14)20(18,19)17-12-13-6-3-1-2-4-7-13/h5,8-10,13,17H,1-4,6-7,12H2
InChIKeyQXQGBAZBENSIEB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.81
Rot. Bonds4

About 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide

3-cyano-N-(cycloheptylmethyl)benzenesulfonamide (PubChem CID 3671266) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
PubChem CID3671266
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCC2CCCCCC2)c1
InChIInChI=1S/C15H20N2O2S/c16-11-14-8-5-9-15(10-14)20(18,19)17-12-13-6-3-1-2-4-7-13/h5,8-10,13,17H,1-4,6-7,12H2
InChIKeyQXQGBAZBENSIEB-UHFFFAOYSA-N
XLogP2.81
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
3-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 47023234
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
4-cyano-N-(cyclopentylmethyl)-3-methylbenzenesulfonamide
CID 106833028
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
CID 43598192

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide (CID 3671266) is 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCC2CCCCCC2)c1.
What is the InChIKey of 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide?
The InChIKey is QXQGBAZBENSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-11-14-8-5-9-15(10-14)20(18,19)17-12-13-6-3-1-2-4-7-13/h5,8-10,13,17H,1-4,6-7,12H2.
What are the key properties of 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide?
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(cycloheptylmethyl)benzenesulfonamide is sourced from PubChem (CID 3671266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).