2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

C11H15ClN2O2S — CID 84597454

IUPAC2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCNC2)c1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-8-3-2-4-10(11(8)12)17(15,16)14-9-5-6-13-7-9/h2-4,9,13-14H,5-7H2,1H3
InChIKeyOATRODNOJKRHHO-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.29
Rot. Bonds3

About 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide

2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 84597454) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID84597454
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCNC2)c1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-8-3-2-4-10(11(8)12)17(15,16)14-9-5-6-13-7-9/h2-4,9,13-14H,5-7H2,1H3
InChIKeyOATRODNOJKRHHO-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide 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-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 84597454) is 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CCNC2)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is OATRODNOJKRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8-3-2-4-10(11(8)12)17(15,16)14-9-5-6-13-7-9/h2-4,9,13-14H,5-7H2,1H3.
What are the key properties of 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 84597454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).