4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide

C17H15FN2O3S — CID 110715545

IUPAC4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2C)c2ncccc2c1
InChIInChI=1S/C17H15FN2O3S/c1-11-8-13(18)5-6-16(11)24(21,22)20-15-10-14(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,1-2H3
InChIKeyPVSHTYNDVRKJLC-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.49
Rot. Bonds4

About 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide

4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide (PubChem CID 110715545) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
PubChem CID110715545
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2C)c2ncccc2c1
InChIInChI=1S/C17H15FN2O3S/c1-11-8-13(18)5-6-16(11)24(21,22)20-15-10-14(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,1-2H3
InChIKeyPVSHTYNDVRKJLC-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 16604844
N-(6-fluoroquinolin-8-yl)-3,5-dimethoxybenzenesulfonamide
CID 164876932
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 118873481
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid
CID 69058052
4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
CID 110402451
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
CID 110715588
5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide
CID 75355090

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide (CID 110715545) is 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(F)cc2C)c2ncccc2c1.
What is the InChIKey of 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide?
The InChIKey is PVSHTYNDVRKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-11-8-13(18)5-6-16(11)24(21,22)20-15-10-14(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,1-2H3.
What are the key properties of 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide?
4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide has a molecular weight of 346.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 110715545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).