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

C22H19ClN2O4S — CID 24744485

IUPACN-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OC(c1ccc(Cl)cc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H19ClN2O4S/c1-30(27,28)24-18-11-12-19-20(13-18)29-21(16-7-9-17(23)10-8-16)22(26)25(19)14-15-5-3-2-4-6-15/h2-13,21,24H,14H2,1H3
InChIKeyUVWYKYKMWUXOGD-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.38
Rot. Bonds5

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

N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide (PubChem CID 24744485) has the molecular formula C22H19ClN2O4S and a molecular weight of 442.92 g/mol. Its IUPAC name is N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
PubChem CID24744485
Molecular FormulaC22H19ClN2O4S
Molecular Weight442.92 g/mol
Exact Mass442.08
IUPAC NameN-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OC(c1ccc(Cl)cc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C22H19ClN2O4S/c1-30(27,28)24-18-11-12-19-20(13-18)29-21(16-7-9-17(23)10-8-16)22(26)25(19)14-15-5-3-2-4-6-15/h2-13,21,24H,14H2,1H3
InChIKeyUVWYKYKMWUXOGD-UHFFFAOYSA-N
XLogP4.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
The IUPAC name of N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide (CID 24744485) is N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
The canonical SMILES for N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)OC(c1ccc(Cl)cc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
The InChIKey is UVWYKYKMWUXOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S/c1-30(27,28)24-18-11-12-19-20(13-18)29-21(16-7-9-17(23)10-8-16)22(26)25(19)14-15-5-3-2-4-6-15/h2-13,21,24H,14H2,1H3.
What are the key properties of N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide?
N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide has a molecular weight of 442.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-2-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide is sourced from PubChem (CID 24744485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).