N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C15H13FN2O4S — CID 16615807

IUPACN-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(F)c1
InChIInChI=1S/C15H13FN2O4S/c1-9-2-4-12(11(16)6-9)18-23(20,21)10-3-5-14-13(7-10)17-15(19)8-22-14/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyJNAPYUDPPOCKPE-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.27
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 16615807) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID16615807
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(F)c1
InChIInChI=1S/C15H13FN2O4S/c1-9-2-4-12(11(16)6-9)18-23(20,21)10-3-5-14-13(7-10)17-15(19)8-22-14/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyJNAPYUDPPOCKPE-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

3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 18147171
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 16615870
2-[6-[(2-fluoro-4-methylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766281
N-(2-benzylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615812
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16621011
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110729696

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 16615807) is N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is JNAPYUDPPOCKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-9-2-4-12(11(16)6-9)18-23(20,21)10-3-5-14-13(7-10)17-15(19)8-22-14/h2-7,18H,8H2,1H3,(H,17,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide 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 N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 16615807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).