N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide

C17H15FN2O2S — CID 31046446

IUPACN-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccc(C)c(F)c3)cccc2c1
InChIInChI=1S/C17H15FN2O2S/c1-11-8-13-4-3-5-16(17(13)19-10-11)23(21,22)20-14-7-6-12(2)15(18)9-14/h3-10,20H,1-2H3
InChIKeyNBLNLNGDYMFFHX-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.79
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide

N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 31046446) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
PubChem CID31046446
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccc(C)c(F)c3)cccc2c1
InChIInChI=1S/C17H15FN2O2S/c1-11-8-13-4-3-5-16(17(13)19-10-11)23(21,22)20-14-7-6-12(2)15(18)9-14/h3-10,20H,1-2H3
InChIKeyNBLNLNGDYMFFHX-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

N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
CID 31046434
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide (CID 31046446) is N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)Nc3ccc(C)c(F)c3)cccc2c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is NBLNLNGDYMFFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-8-13-4-3-5-16(17(13)19-10-11)23(21,22)20-14-7-6-12(2)15(18)9-14/h3-10,20H,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide?
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide 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 N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 31046446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).