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

C15H11BrN2O4S — CID 15541220

IUPAC2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H11BrN2O4S/c1-18(23(20,21)13-9-5-3-7-11(13)16)15-17-12-8-4-2-6-10(12)14(19)22-15/h2-9H,1H3
InChIKeyWXCJIBDOEGNYBN-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.78
Rot. Bonds3

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

2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541220) has the molecular formula C15H11BrN2O4S and a molecular weight of 395.23 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541220
Molecular FormulaC15H11BrN2O4S
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H11BrN2O4S/c1-18(23(20,21)13-9-5-3-7-11(13)16)15-17-12-8-4-2-6-10(12)14(19)22-15/h2-9H,1H3
InChIKeyWXCJIBDOEGNYBN-UHFFFAOYSA-N
XLogP2.78
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541220) is 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is WXCJIBDOEGNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4S/c1-18(23(20,21)13-9-5-3-7-11(13)16)15-17-12-8-4-2-6-10(12)14(19)22-15/h2-9H,1H3.
What are the key properties of 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 395.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).