N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide

C16H13ClN2O2S — CID 1380886

IUPACN-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-11-4-6-12(7-5-11)22(20,21)19-15-9-8-14(17)13-3-2-10-18-16(13)15/h2-10,19H,1H3
InChIKeySUAWQKBCCJDMLS-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.00
Rot. Bonds3

About N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide

N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide (PubChem CID 1380886) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide
PubChem CID1380886
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-11-4-6-12(7-5-11)22(20,21)19-15-9-8-14(17)13-3-2-10-18-16(13)15/h2-10,19H,1H3
InChIKeySUAWQKBCCJDMLS-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide (CID 1380886) is N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1.
What is the InChIKey of N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide?
The InChIKey is SUAWQKBCCJDMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-11-4-6-12(7-5-11)22(20,21)19-15-9-8-14(17)13-3-2-10-18-16(13)15/h2-10,19H,1H3.
What are the key properties of N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide?
N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1380886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).