4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

C15H13FN2O4S — CID 110729696

IUPAC4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCc1cc2c(c(NS(=O)(=O)c3ccc(F)cc3)c1)OCC(=O)N2
InChIInChI=1S/C15H13FN2O4S/c1-9-6-12-15(22-8-14(19)17-12)13(7-9)18-23(20,21)11-4-2-10(16)3-5-11/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyVLROHVRUMMYARE-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.27
Rot. Bonds3

About 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (PubChem CID 110729696) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
PubChem CID110729696
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCc1cc2c(c(NS(=O)(=O)c3ccc(F)cc3)c1)OCC(=O)N2
InChIInChI=1S/C15H13FN2O4S/c1-9-6-12-15(22-8-14(19)17-12)13(7-9)18-23(20,21)11-4-2-10(16)3-5-11/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyVLROHVRUMMYARE-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

Analyze 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide with MolForge

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Related Compounds

8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
CID 110729693
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
CID 110729691
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110729688
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110504134
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110291828
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 18147171
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (CID 110729696) is 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is Cc1cc2c(c(NS(=O)(=O)c3ccc(F)cc3)c1)OCC(=O)N2.
What is the InChIKey of 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The InChIKey is VLROHVRUMMYARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-9-6-12-15(22-8-14(19)17-12)13(7-9)18-23(20,21)11-4-2-10(16)3-5-11/h2-7,18H,8H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-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-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is sourced from PubChem (CID 110729696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).