4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide

C16H13FN2O2S — CID 110734015

IUPAC4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H13FN2O2S/c1-11-10-12(17)7-8-16(11)22(20,21)19-15-6-2-5-14-13(15)4-3-9-18-14/h2-10,19H,1H3
InChIKeyWBRQYTAAXUOOKU-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.48
Rot. Bonds3

About 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide

4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide (PubChem CID 110734015) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
PubChem CID110734015
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H13FN2O2S/c1-11-10-12(17)7-8-16(11)22(20,21)19-15-6-2-5-14-13(15)4-3-9-18-14/h2-10,19H,1H3
InChIKeyWBRQYTAAXUOOKU-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 112773656
4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
CID 110715545
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 55044474
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide (CID 110734015) is 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cccc2ncccc12.
What is the InChIKey of 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide?
The InChIKey is WBRQYTAAXUOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-11-10-12(17)7-8-16(11)22(20,21)19-15-6-2-5-14-13(15)4-3-9-18-14/h2-10,19H,1H3.
What are the key properties of 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide?
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide has a molecular weight of 316.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 110734015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).