(4-chlorophenyl)-cyclopropylmethanesulfonamide

C10H12ClNO2S — CID 62085112

IUPAC(4-chlorophenyl)-cyclopropylmethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C10H12ClNO2S/c11-9-5-3-8(4-6-9)10(7-1-2-7)15(12,13)14/h3-7,10H,1-2H2,(H2,12,13,14)
InChIKeyXOWLZHYAXVBOAL-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.08
Rot. Bonds3

About (4-chlorophenyl)-cyclopropylmethanesulfonamide

(4-chlorophenyl)-cyclopropylmethanesulfonamide (PubChem CID 62085112) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is (4-chlorophenyl)-cyclopropylmethanesulfonamide.

Molecular Properties

Compound Name(4-chlorophenyl)-cyclopropylmethanesulfonamide
PubChem CID62085112
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name(4-chlorophenyl)-cyclopropylmethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C10H12ClNO2S/c11-9-5-3-8(4-6-9)10(7-1-2-7)15(12,13)14/h3-7,10H,1-2H2,(H2,12,13,14)
InChIKeyXOWLZHYAXVBOAL-UHFFFAOYSA-N
XLogP2.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-cyclopropylmethanesulfonamide 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 (4-chlorophenyl)-cyclopropylmethanesulfonamide?
The IUPAC name of (4-chlorophenyl)-cyclopropylmethanesulfonamide (CID 62085112) is (4-chlorophenyl)-cyclopropylmethanesulfonamide.
What is the SMILES notation for (4-chlorophenyl)-cyclopropylmethanesulfonamide?
The canonical SMILES for (4-chlorophenyl)-cyclopropylmethanesulfonamide is NS(=O)(=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of (4-chlorophenyl)-cyclopropylmethanesulfonamide?
The InChIKey is XOWLZHYAXVBOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-9-5-3-8(4-6-9)10(7-1-2-7)15(12,13)14/h3-7,10H,1-2H2,(H2,12,13,14).
What are the key properties of (4-chlorophenyl)-cyclopropylmethanesulfonamide?
(4-chlorophenyl)-cyclopropylmethanesulfonamide has a molecular weight of 245.73 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-cyclopropylmethanesulfonamide is sourced from PubChem (CID 62085112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).