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

C15H12ClFN2O4S — CID 57385921

IUPACN-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
SMILESCN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C15H12ClFN2O4S/c1-19-13-7-10(3-5-14(13)23-8-15(19)20)24(21,22)18-9-2-4-12(17)11(16)6-9/h2-7,18H,8H2,1H3
InChIKeyGCVQWUYDRZKSOV-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.64
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide (PubChem CID 57385921) has the molecular formula C15H12ClFN2O4S and a molecular weight of 370.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
PubChem CID57385921
Molecular FormulaC15H12ClFN2O4S
Molecular Weight370.79 g/mol
Exact Mass370.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
SMILESCN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C15H12ClFN2O4S/c1-19-13-7-10(3-5-14(13)23-8-15(19)20)24(21,22)18-9-2-4-12(17)11(16)6-9/h2-7,18H,8H2,1H3
InChIKeyGCVQWUYDRZKSOV-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 ≤ 500370.79
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-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide (CID 57385921) is N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide is CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
The InChIKey is GCVQWUYDRZKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4S/c1-19-13-7-10(3-5-14(13)23-8-15(19)20)24(21,22)18-9-2-4-12(17)11(16)6-9/h2-7,18H,8H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide?
N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide has a molecular weight of 370.79 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-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 57385921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).