4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide

C23H17ClN2O3S — CID 166333595

IUPAC4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)cc2cccnc12)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O3S/c24-20-14-19-7-4-12-25-22(19)21(15-20)30(28,29)26-23(27)18-10-8-17(9-11-18)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2,(H,26,27)
InChIKeyLGNBCQPSICVSNC-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.60
Rot. Bonds5

About 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide

4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide (PubChem CID 166333595) has the molecular formula C23H17ClN2O3S and a molecular weight of 436.92 g/mol. Its IUPAC name is 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide
PubChem CID166333595
Molecular FormulaC23H17ClN2O3S
Molecular Weight436.92 g/mol
Exact Mass436.06
IUPAC Name4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)cc2cccnc12)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O3S/c24-20-14-19-7-4-12-25-22(19)21(15-20)30(28,29)26-23(27)18-10-8-17(9-11-18)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2,(H,26,27)
InChIKeyLGNBCQPSICVSNC-UHFFFAOYSA-N
XLogP4.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide?
The IUPAC name of 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide (CID 166333595) is 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide.
What is the SMILES notation for 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide?
The canonical SMILES for 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide is O=C(NS(=O)(=O)c1cc(Cl)cc2cccnc12)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide?
The InChIKey is LGNBCQPSICVSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S/c24-20-14-19-7-4-12-25-22(19)21(15-20)30(28,29)26-23(27)18-10-8-17(9-11-18)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2,(H,26,27).
What are the key properties of 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide?
4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide has a molecular weight of 436.92 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide is sourced from PubChem (CID 166333595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).