3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide

C15H20N2O2S — CID 102794968

IUPAC3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N2O2S/c1-12-4-2-6-14(9-8-12)17-20(18,19)15-7-3-5-13(10-15)11-16/h3,5,7,10,12,14,17H,2,4,6,8-9H2,1H3
InChIKeyDPXCLOJDFWCRAQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.81
Rot. Bonds3

About 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide

3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide (PubChem CID 102794968) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
PubChem CID102794968
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C15H20N2O2S/c1-12-4-2-6-14(9-8-12)17-20(18,19)15-7-3-5-13(10-15)11-16/h3,5,7,10,12,14,17H,2,4,6,8-9H2,1H3
InChIKeyDPXCLOJDFWCRAQ-UHFFFAOYSA-N
XLogP2.81
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651396
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958166
6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide (CID 102794968) is 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide is CC1CCCC(NS(=O)(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide?
The InChIKey is DPXCLOJDFWCRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-4-2-6-14(9-8-12)17-20(18,19)15-7-3-5-13(10-15)11-16/h3,5,7,10,12,14,17H,2,4,6,8-9H2,1H3.
What are the key properties of 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide?
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide is sourced from PubChem (CID 102794968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).