4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide

C16H13FN2O2S — CID 122398578

IUPAC4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(F)cc2)cnc2ccccc12
InChIInChI=1S/C16H13FN2O2S/c1-11-14-4-2-3-5-15(14)18-10-16(11)19-22(20,21)13-8-6-12(17)7-9-13/h2-10,19H,1H3
InChIKeyVCAJHMMZDPNBMX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.48
Rot. Bonds3

About 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide

4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide (PubChem CID 122398578) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide
PubChem CID122398578
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(F)cc2)cnc2ccccc12
InChIInChI=1S/C16H13FN2O2S/c1-11-14-4-2-3-5-15(14)18-10-16(11)19-22(20,21)13-8-6-12(17)7-9-13/h2-10,19H,1H3
InChIKeyVCAJHMMZDPNBMX-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

4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide
CID 164678226
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-chloro-N-(5-chloro-4,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 75538652
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
CID 122319347
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide (CID 122398578) is 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(F)cc2)cnc2ccccc12.
What is the InChIKey of 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide?
The InChIKey is VCAJHMMZDPNBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-11-14-4-2-3-5-15(14)18-10-16(11)19-22(20,21)13-8-6-12(17)7-9-13/h2-10,19H,1H3.
What are the key properties of 4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide?
4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide 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-N-(4-methylquinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 122398578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).