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

C15H11ClN2O4S — CID 15541226

IUPAC3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3
InChIKeyINQTWJVQCZWRGV-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.67
Rot. Bonds3

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

3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541226) has the molecular formula C15H11ClN2O4S and a molecular weight of 350.78 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541226
Molecular FormulaC15H11ClN2O4S
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC Name3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3
InChIKeyINQTWJVQCZWRGV-UHFFFAOYSA-N
XLogP2.67
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541226) is 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is INQTWJVQCZWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S/c1-18(23(20,21)11-6-4-5-10(16)9-11)15-17-13-8-3-2-7-12(13)14(19)22-15/h2-9H,1H3.
What are the key properties of 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 350.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).