2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide

C14H23NO2S — CID 162515107

IUPAC2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide
SMILESNS(=O)(=O)C1=C(C2=CCCCCC2)CCCCC1
InChIInChI=1S/C14H23NO2S/c15-18(16,17)14-11-7-3-6-10-13(14)12-8-4-1-2-5-9-12/h8H,1-7,9-11H2,(H2,15,16,17)
InChIKeyJBCIRCWVULGITQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.38
Rot. Bonds2

About 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide

2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide (PubChem CID 162515107) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide
PubChem CID162515107
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide
SMILESNS(=O)(=O)C1=C(C2=CCCCCC2)CCCCC1
InChIInChI=1S/C14H23NO2S/c15-18(16,17)14-11-7-3-6-10-13(14)12-8-4-1-2-5-9-12/h8H,1-7,9-11H2,(H2,15,16,17)
InChIKeyJBCIRCWVULGITQ-UHFFFAOYSA-N
XLogP3.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide 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 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide?
The IUPAC name of 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide (CID 162515107) is 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide.
What is the SMILES notation for 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide?
The canonical SMILES for 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide is NS(=O)(=O)C1=C(C2=CCCCCC2)CCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide?
The InChIKey is JBCIRCWVULGITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c15-18(16,17)14-11-7-3-6-10-13(14)12-8-4-1-2-5-9-12/h8H,1-7,9-11H2,(H2,15,16,17).
What are the key properties of 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide?
2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)cycloheptene-1-sulfonamide is sourced from PubChem (CID 162515107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).