3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide

C16H13ClN2O2S — CID 110734194

IUPAC3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2n1
InChIInChI=1S/C16H13ClN2O2S/c1-11-8-9-12-4-2-7-15(16(12)18-11)19-22(20,21)14-6-3-5-13(17)10-14/h2-10,19H,1H3
InChIKeyWETMVPTXAKKXFB-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.00
Rot. Bonds3

About 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide

3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide (PubChem CID 110734194) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
PubChem CID110734194
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2n1
InChIInChI=1S/C16H13ClN2O2S/c1-11-8-9-12-4-2-7-15(16(12)18-11)19-22(20,21)14-6-3-5-13(17)10-14/h2-10,19H,1H3
InChIKeyWETMVPTXAKKXFB-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

4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734172
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 151982031
2-methyl-8-(sulfamoylamino)quinoline
CID 112573710
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
N-(2-methylquinolin-8-yl)ethanesulfonamide
CID 64584373
5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
CID 16759908
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 43547574
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide (CID 110734194) is 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide is Cc1ccc2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The InChIKey is WETMVPTXAKKXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-11-8-9-12-4-2-7-15(16(12)18-11)19-22(20,21)14-6-3-5-13(17)10-14/h2-10,19H,1H3.
What are the key properties of 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide?
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide 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 3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 110734194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).