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

C15H10Cl2N2O4S — CID 15541222

IUPAC3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)9-6-7-11(16)12(17)8-9)15-18-13-5-3-2-4-10(13)14(20)23-15/h2-8H,1H3
InChIKeyONLWBMSOAUIVEA-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.32
Rot. Bonds3

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

3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541222) has the molecular formula C15H10Cl2N2O4S and a molecular weight of 385.23 g/mol. Its IUPAC name is 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541222
Molecular FormulaC15H10Cl2N2O4S
Molecular Weight385.23 g/mol
Exact Mass383.97
IUPAC Name3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)9-6-7-11(16)12(17)8-9)15-18-13-5-3-2-4-10(13)14(20)23-15/h2-8H,1H3
InChIKeyONLWBMSOAUIVEA-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 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541222) is 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is ONLWBMSOAUIVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4S/c1-19(24(21,22)9-6-7-11(16)12(17)8-9)15-18-13-5-3-2-4-10(13)14(20)23-15/h2-8H,1H3.
What are the key properties of 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
3,4-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 3,4-dichloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).