6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one

C16H14N2O4S — CID 4916042

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2N1
InChIInChI=1S/C16H14N2O4S/c19-16-10-22-15-6-5-12(9-13(15)17-16)23(20,21)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyCUXRYUNYEIOFHG-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.77
Rot. Bonds2

About 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one

6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 4916042) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
PubChem CID4916042
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2N1
InChIInChI=1S/C16H14N2O4S/c19-16-10-22-15-6-5-12(9-13(15)17-16)23(20,21)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyCUXRYUNYEIOFHG-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one 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

6-Iodo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,3-dihydroindole
CID 10413595
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
2-[6-(Azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-YL]-N-benzyl-N-(propan-2-YL)acetamide
CID 16019762
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-YL]acetamide
CID 16008205
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,2-dimethyl-3H-indole
CID 44369415
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615773

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one (CID 4916042) is 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2N1.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is CUXRYUNYEIOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c19-16-10-22-15-6-5-12(9-13(15)17-16)23(20,21)18-8-7-11-3-1-2-4-14(11)18/h1-6,9H,7-8,10H2,(H,17,19).
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one?
6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 330.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 4916042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).