2-chloro-N-quinolin-2-ylbenzenesulfonamide

C15H11ClN2O2S — CID 2813160

IUPAC2-chloro-N-quinolin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O2S/c16-12-6-2-4-8-14(12)21(19,20)18-15-10-9-11-5-1-3-7-13(11)17-15/h1-10H,(H,17,18)
InChIKeyPQWLOKSYXGPRQU-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-N-quinolin-2-ylbenzenesulfonamide

2-chloro-N-quinolin-2-ylbenzenesulfonamide (PubChem CID 2813160) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-chloro-N-quinolin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-quinolin-2-ylbenzenesulfonamide
PubChem CID2813160
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name2-chloro-N-quinolin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C15H11ClN2O2S/c16-12-6-2-4-8-14(12)21(19,20)18-15-10-9-11-5-1-3-7-13(11)17-15/h1-10H,(H,17,18)
InChIKeyPQWLOKSYXGPRQU-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinolin-2-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-quinolin-2-ylbenzenesulfonamide (CID 2813160) is 2-chloro-N-quinolin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-quinolin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-quinolin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-quinolin-2-ylbenzenesulfonamide?
The InChIKey is PQWLOKSYXGPRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-12-6-2-4-8-14(12)21(19,20)18-15-10-9-11-5-1-3-7-13(11)17-15/h1-10H,(H,17,18).
What are the key properties of 2-chloro-N-quinolin-2-ylbenzenesulfonamide?
2-chloro-N-quinolin-2-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 2-chloro-N-quinolin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2813160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).