N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide

C16H15FN2O4S — CID 24744335

IUPACN-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
SMILESCC1Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H15FN2O4S/c1-10-16(20)19(13-6-3-11(17)4-7-13)14-8-5-12(9-15(14)23-10)18-24(2,21)22/h3-10,18H,1-2H3
InChIKeyRPRLNYNIMTUMNA-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.64
Rot. Bonds3

About N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide

N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide (PubChem CID 24744335) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
PubChem CID24744335
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
SMILESCC1Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H15FN2O4S/c1-10-16(20)19(13-6-3-11(17)4-7-13)14-8-5-12(9-15(14)23-10)18-24(2,21)22/h3-10,18H,1-2H3
InChIKeyRPRLNYNIMTUMNA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide (CID 24744335) is N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide is CC1Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
The InChIKey is RPRLNYNIMTUMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-10-16(20)19(13-6-3-11(17)4-7-13)14-8-5-12(9-15(14)23-10)18-24(2,21)22/h3-10,18H,1-2H3.
What are the key properties of N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide has a molecular weight of 350.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide is sourced from PubChem (CID 24744335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).