6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide

C15H12Cl2N2O4S — CID 167344356

IUPAC6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide
SMILESCC1Oc2c(cc(Cl)cc2S(=O)(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C15H12Cl2N2O4S/c1-8-15(20)18-12-6-10(17)7-13(14(12)23-8)24(21,22)19-11-4-2-9(16)3-5-11/h2-8,19H,1H3,(H,18,20)
InChIKeyXKBDGHFZZUAFHR-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.51
Rot. Bonds3

About 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide

6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide (PubChem CID 167344356) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide
PubChem CID167344356
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide
SMILESCC1Oc2c(cc(Cl)cc2S(=O)(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C15H12Cl2N2O4S/c1-8-15(20)18-12-6-10(17)7-13(14(12)23-8)24(21,22)19-11-4-2-9(16)3-5-11/h2-8,19H,1H3,(H,18,20)
InChIKeyXKBDGHFZZUAFHR-UHFFFAOYSA-N
XLogP3.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide (CID 167344356) is 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide is CC1Oc2c(cc(Cl)cc2S(=O)(=O)Nc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide?
The InChIKey is XKBDGHFZZUAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c1-8-15(20)18-12-6-10(17)7-13(14(12)23-8)24(21,22)19-11-4-2-9(16)3-5-11/h2-8,19H,1H3,(H,18,20).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide?
6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide has a molecular weight of 387.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-sulfonamide is sourced from PubChem (CID 167344356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).