N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide

C16H23NO2S — CID 2948243

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C16H23NO2S/c1-10-6-11(2)16(12(3)7-10)20(18,19)17-15-9-13-4-5-14(15)8-13/h6-7,13-15,17H,4-5,8-9H2,1-3H3
InChIKeyZCGAYCRNIGUXTA-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.08
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 2948243) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID2948243
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C16H23NO2S/c1-10-6-11(2)16(12(3)7-10)20(18,19)17-15-9-13-4-5-14(15)8-13/h6-7,13-15,17H,4-5,8-9H2,1-3H3
InChIKeyZCGAYCRNIGUXTA-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide (CID 2948243) is N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CC3CCC2C3)c(C)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ZCGAYCRNIGUXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-10-6-11(2)16(12(3)7-10)20(18,19)17-15-9-13-4-5-14(15)8-13/h6-7,13-15,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 2948243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).