N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide

C15H12ClN3O4S2 — CID 174442794

IUPACN-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide
SMILESNS(=O)(=O)N(c1cnc2c(Cl)cccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O4S2/c16-14-8-4-5-11-9-12(10-18-15(11)14)19(25(17,22)23)24(20,21)13-6-2-1-3-7-13/h1-10H,(H2,17,22,23)
InChIKeyXJRXFSDVSYUYFM-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.29
Rot. Bonds4

About N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide

N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide (PubChem CID 174442794) has the molecular formula C15H12ClN3O4S2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide
PubChem CID174442794
Molecular FormulaC15H12ClN3O4S2
Molecular Weight397.87 g/mol
Exact Mass397.00
IUPAC NameN-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide
SMILESNS(=O)(=O)N(c1cnc2c(Cl)cccc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O4S2/c16-14-8-4-5-11-9-12(10-18-15(11)14)19(25(17,22)23)24(20,21)13-6-2-1-3-7-13/h1-10H,(H2,17,22,23)
InChIKeyXJRXFSDVSYUYFM-UHFFFAOYSA-N
XLogP2.29
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide?
The IUPAC name of N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide (CID 174442794) is N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide.
What is the SMILES notation for N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide?
The canonical SMILES for N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide is NS(=O)(=O)N(c1cnc2c(Cl)cccc2c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide?
The InChIKey is XJRXFSDVSYUYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S2/c16-14-8-4-5-11-9-12(10-18-15(11)14)19(25(17,22)23)24(20,21)13-6-2-1-3-7-13/h1-10H,(H2,17,22,23).
What are the key properties of N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide?
N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide has a molecular weight of 397.87 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide is sourced from PubChem (CID 174442794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).