4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide

C15H20N2O2S — CID 18129528

IUPAC4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-17(14-6-4-2-3-5-7-14)20(18,19)15-10-8-13(12-16)9-11-15/h8-11,14H,2-7H2,1H3
InChIKeyQHJRCLSVATYLGA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.90
Rot. Bonds3

About 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide

4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide (PubChem CID 18129528) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
PubChem CID18129528
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-17(14-6-4-2-3-5-7-14)20(18,19)15-10-8-13(12-16)9-11-15/h8-11,14H,2-7H2,1H3
InChIKeyQHJRCLSVATYLGA-UHFFFAOYSA-N
XLogP2.90
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650712
4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61449550
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
4-(cyanomethyl)-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115672016
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
cyclohexyl 2-[(4-cyanophenyl)sulfonyl-methylamino]acetate
CID 24662229
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide (CID 18129528) is 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide is CN(C1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide?
The InChIKey is QHJRCLSVATYLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-17(14-6-4-2-3-5-7-14)20(18,19)15-10-8-13(12-16)9-11-15/h8-11,14H,2-7H2,1H3.
What are the key properties of 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide?
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 18129528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).