2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide

C16H13ClN2O2S — CID 24629216

IUPAC2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2S/c1-11-7-8-15(13(17)10-11)22(20,21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10,19H,1H3
InChIKeyOWJUPDLRSKXKFC-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide

2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 24629216) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID24629216
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2S/c1-11-7-8-15(13(17)10-11)22(20,21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10,19H,1H3
InChIKeyOWJUPDLRSKXKFC-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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Related Compounds

2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466436
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
4-methyl-N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466493
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide (CID 24629216) is 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is OWJUPDLRSKXKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-11-7-8-15(13(17)10-11)22(20,21)19-14-6-2-4-12-5-3-9-18-16(12)14/h2-10,19H,1H3.
What are the key properties of 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide?
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide 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 2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 24629216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).