4-chloro-N-isoquinolin-1-ylbenzenesulfonamide

C15H11ClN2O2S — CID 3842782

IUPAC4-chloro-N-isoquinolin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1nccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-12-5-7-13(8-6-12)21(19,20)18-15-14-4-2-1-3-11(14)9-10-17-15/h1-10H,(H,17,18)
InChIKeyMKQTZFCUWUEUCO-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.69
Rot. Bonds3

About 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide

4-chloro-N-isoquinolin-1-ylbenzenesulfonamide (PubChem CID 3842782) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-isoquinolin-1-ylbenzenesulfonamide
PubChem CID3842782
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name4-chloro-N-isoquinolin-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1nccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-12-5-7-13(8-6-12)21(19,20)18-15-14-4-2-1-3-11(14)9-10-17-15/h1-10H,(H,17,18)
InChIKeyMKQTZFCUWUEUCO-UHFFFAOYSA-N
XLogP3.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-isoquinolin-1-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 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide (CID 3842782) is 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide is O=S(=O)(Nc1nccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide?
The InChIKey is MKQTZFCUWUEUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-12-5-7-13(8-6-12)21(19,20)18-15-14-4-2-1-3-11(14)9-10-17-15/h1-10H,(H,17,18).
What are the key properties of 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide?
4-chloro-N-isoquinolin-1-ylbenzenesulfonamide has a molecular weight of 318.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-isoquinolin-1-ylbenzenesulfonamide is sourced from PubChem (CID 3842782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).