4-chloro-N-quinoxalin-6-ylbenzenesulfonamide

C14H10ClN3O2S — CID 72735411

IUPAC4-chloro-N-quinoxalin-6-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nccnc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O2S/c15-10-1-4-12(5-2-10)21(19,20)18-11-3-6-13-14(9-11)17-8-7-16-13/h1-9,18H
InChIKeyJCQKZEULFQGXCU-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.08
Rot. Bonds3

About 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide

4-chloro-N-quinoxalin-6-ylbenzenesulfonamide (PubChem CID 72735411) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-quinoxalin-6-ylbenzenesulfonamide
PubChem CID72735411
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name4-chloro-N-quinoxalin-6-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nccnc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O2S/c15-10-1-4-12(5-2-10)21(19,20)18-11-3-6-13-14(9-11)17-8-7-16-13/h1-9,18H
InChIKeyJCQKZEULFQGXCU-UHFFFAOYSA-N
XLogP3.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide (CID 72735411) is 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide is O=S(=O)(Nc1ccc2nccnc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide?
The InChIKey is JCQKZEULFQGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-10-1-4-12(5-2-10)21(19,20)18-11-3-6-13-14(9-11)17-8-7-16-13/h1-9,18H.
What are the key properties of 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide?
4-chloro-N-quinoxalin-6-ylbenzenesulfonamide has a molecular weight of 319.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-quinoxalin-6-ylbenzenesulfonamide is sourced from PubChem (CID 72735411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).