3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide

C20H16N2O5S — CID 51335151

IUPAC3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1COc2ccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)cc2N1
InChIInChI=1S/C20H16N2O5S/c23-20-13-26-19-10-9-17(12-18(19)21-20)28(24,25)22-14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-12,22H,13H2,(H,21,23)
InChIKeyHKEUAVGZLGFFTE-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.61
Rot. Bonds5

About 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide

3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 51335151) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID51335151
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1COc2ccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)cc2N1
InChIInChI=1S/C20H16N2O5S/c23-20-13-26-19-10-9-17(12-18(19)21-20)28(24,25)22-14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-12,22H,13H2,(H,21,23)
InChIKeyHKEUAVGZLGFFTE-UHFFFAOYSA-N
XLogP3.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid
CID 18230441
N-(3-nitrophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615772
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935
3-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 31703497
N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 39833657
N-(2-benzylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615812
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
1-methyl-3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]urea
CID 46518720
N-(4-butylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16620678

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide (CID 51335151) is 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide is O=C1COc2ccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)cc2N1.
What is the InChIKey of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is HKEUAVGZLGFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c23-20-13-26-19-10-9-17(12-18(19)21-20)28(24,25)22-14-5-4-8-16(11-14)27-15-6-2-1-3-7-15/h1-12,22H,13H2,(H,21,23).
What are the key properties of 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide?
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 396.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 51335151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).