4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide

C16H13FN2O3S — CID 16604844

IUPAC4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ncccc2c1
InChIInChI=1S/C16H13FN2O3S/c1-22-13-9-11-3-2-8-18-16(11)15(10-13)19-23(20,21)14-6-4-12(17)5-7-14/h2-10,19H,1H3
InChIKeyDHJUDHYVLJIYAM-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.18
Rot. Bonds4

About 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide

4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide (PubChem CID 16604844) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
PubChem CID16604844
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ncccc2c1
InChIInChI=1S/C16H13FN2O3S/c1-22-13-9-11-3-2-8-18-16(11)15(10-13)19-23(20,21)14-6-4-12(17)5-7-14/h2-10,19H,1H3
InChIKeyDHJUDHYVLJIYAM-UHFFFAOYSA-N
XLogP3.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
N-(6-fluoroquinolin-8-yl)-3,5-dimethoxybenzenesulfonamide
CID 164876932
4-fluoro-N-(6-methoxyquinolin-8-yl)-2-methylbenzenesulfonamide
CID 110715545
N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 118873481
5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid
CID 69058052
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
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
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide (CID 16604844) is 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ncccc2c1.
What is the InChIKey of 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide?
The InChIKey is DHJUDHYVLJIYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-22-13-9-11-3-2-8-18-16(11)15(10-13)19-23(20,21)14-6-4-12(17)5-7-14/h2-10,19H,1H3.
What are the key properties of 4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide?
4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 3.18, 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)benzenesulfonamide is sourced from PubChem (CID 16604844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).