N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide

C15H12ClFN2O4S — CID 57385412

IUPACN-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide
SMILESCN1C(=O)OCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C15H12ClFN2O4S/c1-19-14-5-3-11(6-9(14)8-23-15(19)20)24(21,22)18-10-2-4-13(17)12(16)7-10/h2-7,18H,8H2,1H3
InChIKeyRDCLVJXGYBMDSS-UHFFFAOYSA-N
MW370.79 g/mol
LogP3.37
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide (PubChem CID 57385412) has the molecular formula C15H12ClFN2O4S and a molecular weight of 370.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide
PubChem CID57385412
Molecular FormulaC15H12ClFN2O4S
Molecular Weight370.79 g/mol
Exact Mass370.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide
SMILESCN1C(=O)OCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C15H12ClFN2O4S/c1-19-14-5-3-11(6-9(14)8-23-15(19)20)24(21,22)18-10-2-4-13(17)12(16)7-10/h2-7,18H,8H2,1H3
InChIKeyRDCLVJXGYBMDSS-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide (CID 57385412) is N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide is CN1C(=O)OCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
The InChIKey is RDCLVJXGYBMDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4S/c1-19-14-5-3-11(6-9(14)8-23-15(19)20)24(21,22)18-10-2-4-13(17)12(16)7-10/h2-7,18H,8H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide?
N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide has a molecular weight of 370.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 57385412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).