N-cycloheptylbenzenesulfonamide

C13H19NO2S — CID 799160

IUPACN-cycloheptylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-17(16,13-10-6-3-7-11-13)14-12-8-4-1-2-5-9-12/h3,6-7,10-12,14H,1-2,4-5,8-9H2
InChIKeyPPHCJRAYYJQXOO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.69
Rot. Bonds3

About N-cycloheptylbenzenesulfonamide

N-cycloheptylbenzenesulfonamide (PubChem CID 799160) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cycloheptylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptylbenzenesulfonamide
PubChem CID799160
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-cycloheptylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-17(16,13-10-6-3-7-11-13)14-12-8-4-1-2-5-9-12/h3,6-7,10-12,14H,1-2,4-5,8-9H2
InChIKeyPPHCJRAYYJQXOO-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cycloheptylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Butylbenzenesulfonamide
CID 19241
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Ethylbenzenesulfonamide
CID 79279
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
N-cyclooctylbenzenesulfonamide
CID 879701
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
4-chloro-N-cycloheptylbenzenesulfonamide
CID 710424
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
n-Allylbenzenesulfonamide
CID 257467
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
4-[(2S)-2-amino-3-methylbutyl]selanylbenzenesulfonamide
CID 145951028
N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 4199260

Frequently Asked Questions

What is the IUPAC name of N-cycloheptylbenzenesulfonamide?
The IUPAC name of N-cycloheptylbenzenesulfonamide (CID 799160) is N-cycloheptylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptylbenzenesulfonamide?
The canonical SMILES for N-cycloheptylbenzenesulfonamide is O=S(=O)(NC1CCCCCC1)c1ccccc1.
What is the InChIKey of N-cycloheptylbenzenesulfonamide?
The InChIKey is PPHCJRAYYJQXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-17(16,13-10-6-3-7-11-13)14-12-8-4-1-2-5-9-12/h3,6-7,10-12,14H,1-2,4-5,8-9H2.
What are the key properties of N-cycloheptylbenzenesulfonamide?
N-cycloheptylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylbenzenesulfonamide is sourced from PubChem (CID 799160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).