N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

C15H12N2O4S — CID 15541214

IUPACN-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O4S/c1-17(22(19,20)11-7-3-2-4-8-11)15-16-13-10-6-5-9-12(13)14(18)21-15/h2-10H,1H3
InChIKeyBFHKXBINBJJTSZ-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541214) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541214
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC NameN-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O4S/c1-17(22(19,20)11-7-3-2-4-8-11)15-16-13-10-6-5-9-12(13)14(18)21-15/h2-10H,1H3
InChIKeyBFHKXBINBJJTSZ-UHFFFAOYSA-N
XLogP2.01
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541214) is N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is BFHKXBINBJJTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-17(22(19,20)11-7-3-2-4-8-11)15-16-13-10-6-5-9-12(13)14(18)21-15/h2-10H,1H3.
What are the key properties of N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 316.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).