6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C15H12Cl2N2O4S — CID 55682435

IUPAC6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NCc3cccc(Cl)c3)c(Cl)cc2N1
InChIInChI=1S/C15H12Cl2N2O4S/c16-10-3-1-2-9(4-10)7-18-24(21,22)14-6-13-12(5-11(14)17)19-15(20)8-23-13/h1-6,18H,7-8H2,(H,19,20)
InChIKeyHJBIQCIBMOFVMP-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.80
Rot. Bonds4

About 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 55682435) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID55682435
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NCc3cccc(Cl)c3)c(Cl)cc2N1
InChIInChI=1S/C15H12Cl2N2O4S/c16-10-3-1-2-9(4-10)7-18-24(21,22)14-6-13-12(5-11(14)17)19-15(20)8-23-13/h1-6,18H,7-8H2,(H,19,20)
InChIKeyHJBIQCIBMOFVMP-UHFFFAOYSA-N
XLogP2.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(4-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548468
6-chloro-3-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 55681512
N-[(4-bromo-2-methylphenyl)methyl]-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 86937171
N-benzhydryl-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 52579392
6-chloro-3-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 55681530
6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 55682093
7-(4-benzylpiperazin-1-yl)sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one
CID 22548481
N-[(3-chlorophenyl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55874005
methyl 3-[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]ethoxy]benzoate
CID 38112399
6-chloro-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 95163322
2-cyano-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110738480
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055497

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 55682435) is 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is O=C1COc2cc(S(=O)(=O)NCc3cccc(Cl)c3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is HJBIQCIBMOFVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c16-10-3-1-2-9(4-10)7-18-24(21,22)14-6-13-12(5-11(14)17)19-15(20)8-23-13/h1-6,18H,7-8H2,(H,19,20).
What are the key properties of 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 387.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 55682435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).