4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide

C15H13FN2O4S — CID 110713237

IUPAC4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc2c1NC(=O)CO2
InChIInChI=1S/C15H13FN2O4S/c1-9-7-10(16)5-6-13(9)23(20,21)18-11-3-2-4-12-15(11)17-14(19)8-22-12/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyYMNOQNJPEYIAAX-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.27
Rot. Bonds3

About 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide

4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide (PubChem CID 110713237) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
PubChem CID110713237
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc2c1NC(=O)CO2
InChIInChI=1S/C15H13FN2O4S/c1-9-7-10(16)5-6-13(9)23(20,21)18-11-3-2-4-12-15(11)17-14(19)8-22-12/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyYMNOQNJPEYIAAX-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid
CID 166211679
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
5-fluoro-4H-1,4-benzoxazin-3-one
CID 54758768
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 46535021
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide (CID 110713237) is 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cccc2c1NC(=O)CO2.
What is the InChIKey of 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
The InChIKey is YMNOQNJPEYIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-9-7-10(16)5-6-13(9)23(20,21)18-11-3-2-4-12-15(11)17-14(19)8-22-12/h2-7,18H,8H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide has a molecular weight of 336.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide is sourced from PubChem (CID 110713237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).