2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

C15H10Cl2N2O4S — CID 15541221

IUPAC2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)13-10(16)6-4-7-11(13)17)15-18-12-8-3-2-5-9(12)14(20)23-15/h2-8H,1H3
InChIKeyUUFIFKXFEAUOJT-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.32
Rot. Bonds3

About 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541221) has the molecular formula C15H10Cl2N2O4S and a molecular weight of 385.23 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541221
Molecular FormulaC15H10Cl2N2O4S
Molecular Weight385.23 g/mol
Exact Mass383.97
IUPAC Name2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)13-10(16)6-4-7-11(13)17)15-18-12-8-3-2-5-9(12)14(20)23-15/h2-8H,1H3
InChIKeyUUFIFKXFEAUOJT-UHFFFAOYSA-N
XLogP3.32
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541221) is 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is UUFIFKXFEAUOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)13-10(16)6-4-7-11(13)17)15-18-12-8-3-2-5-9(12)14(20)23-15/h2-8H,1H3.
What are the key properties of 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 385.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).