4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide

C16H13FN2O3S — CID 110428026

IUPAC4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
SMILESCc1cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C16H13FN2O3S/c1-10-8-11-2-5-13(9-15(11)18-16(10)20)19-23(21,22)14-6-3-12(17)4-7-14/h2-9,19H,1H3,(H,18,20)
InChIKeyPFRUKPZSPIOFNU-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.78
Rot. Bonds3

About 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide

4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide (PubChem CID 110428026) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
PubChem CID110428026
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
SMILESCc1cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C16H13FN2O3S/c1-10-8-11-2-5-13(9-15(11)18-16(10)20)19-23(21,22)14-6-3-12(17)4-7-14/h2-9,19H,1H3,(H,18,20)
InChIKeyPFRUKPZSPIOFNU-UHFFFAOYSA-N
XLogP2.78
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-propan-2-ylbenzenesulfonamide
CID 110428035
4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)ethanesulfonamide
CID 110618969
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 110425693
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053
3-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604374
5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 110613684
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide (CID 110428026) is 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide is Cc1cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is PFRUKPZSPIOFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-10-8-11-2-5-13(9-15(11)18-16(10)20)19-23(21,22)14-6-3-12(17)4-7-14/h2-9,19H,1H3,(H,18,20).
What are the key properties of 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide?
4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 332.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 110428026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).