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

C16H15FN2O4S — CID 57385413

IUPACN-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)COC(=O)N3C)ccc1F
InChIInChI=1S/C16H15FN2O4S/c1-10-7-12(3-5-14(10)17)18-24(21,22)13-4-6-15-11(8-13)9-23-16(20)19(15)2/h3-8,18H,9H2,1-2H3
InChIKeyGBUBVUAXBUJJAH-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.02
Rot. Bonds3

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

N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide (PubChem CID 57385413) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide
PubChem CID57385413
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)COC(=O)N3C)ccc1F
InChIInChI=1S/C16H15FN2O4S/c1-10-7-12(3-5-14(10)17)18-24(21,22)13-4-6-15-11(8-13)9-23-16(20)19(15)2/h3-8,18H,9H2,1-2H3
InChIKeyGBUBVUAXBUJJAH-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide (CID 57385413) is N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)COC(=O)N3C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
The InChIKey is GBUBVUAXBUJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-10-7-12(3-5-14(10)17)18-24(21,22)13-4-6-15-11(8-13)9-23-16(20)19(15)2/h3-8,18H,9H2,1-2H3.
What are the key properties of N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide has a molecular weight of 350.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 57385413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).