4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide

C17H15FN2O2S — CID 110734172

IUPAC4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C17H15FN2O2S/c1-11-10-14(8-9-15(11)18)23(21,22)20-16-5-3-4-13-7-6-12(2)19-17(13)16/h3-10,20H,1-2H3
InChIKeyHWKCUDWCBUQGFB-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.79
Rot. Bonds3

About 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide (PubChem CID 110734172) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
PubChem CID110734172
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3ccc(F)c(C)c3)c2n1
InChIInChI=1S/C17H15FN2O2S/c1-11-10-14(8-9-15(11)18)23(21,22)20-16-5-3-4-13-7-6-12(2)19-17(13)16/h3-10,20H,1-2H3
InChIKeyHWKCUDWCBUQGFB-UHFFFAOYSA-N
XLogP3.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 151982031
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
2-methyl-8-(sulfamoylamino)quinoline
CID 112573710
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
N-(2-methylquinolin-8-yl)ethanesulfonamide
CID 64584373
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113093542
5-bromo-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
CID 16759908

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide (CID 110734172) is 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide is Cc1ccc2cccc(NS(=O)(=O)c3ccc(F)c(C)c3)c2n1.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide?
The InChIKey is HWKCUDWCBUQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-10-14(8-9-15(11)18)23(21,22)20-16-5-3-4-13-7-6-12(2)19-17(13)16/h3-10,20H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide has a molecular weight of 330.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 110734172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).