3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide

C16H22ClNO3S — CID 3554947

IUPAC3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H22ClNO3S/c17-14-9-5-6-10-15(14)22(20,21)12-11-16(19)18-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,18,19)
InChIKeySPSRAZFDRCINIO-UHFFFAOYSA-N
MW343.88 g/mol
LogP3.34
Rot. Bonds5

About 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide

3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide (PubChem CID 3554947) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide
PubChem CID3554947
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC Name3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H22ClNO3S/c17-14-9-5-6-10-15(14)22(20,21)12-11-16(19)18-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,18,19)
InChIKeySPSRAZFDRCINIO-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide 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 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide (CID 3554947) is 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide is O=C(CCS(=O)(=O)c1ccccc1Cl)NC1CCCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide?
The InChIKey is SPSRAZFDRCINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c17-14-9-5-6-10-15(14)22(20,21)12-11-16(19)18-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide?
3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide has a molecular weight of 343.88 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-N-cycloheptylpropanamide is sourced from PubChem (CID 3554947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).