6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one

C17H16N2O4S — CID 5295628

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1S(=O)(=O)N1CCc3ccccc31)NC(=O)CO2
InChIInChI=1S/C17H16N2O4S/c1-11-8-15-13(18-17(20)10-23-15)9-16(11)24(21,22)19-7-6-12-4-2-3-5-14(12)19/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)
InChIKeyZIPGKXWRLZXNHN-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.08
Rot. Bonds2

About 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one

6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 5295628) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
PubChem CID5295628
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1S(=O)(=O)N1CCc3ccccc31)NC(=O)CO2
InChIInChI=1S/C17H16N2O4S/c1-11-8-15-13(18-17(20)10-23-15)9-16(11)24(21,22)19-7-6-12-4-2-3-5-14(12)19/h2-5,8-9H,6-7,10H2,1H3,(H,18,20)
InChIKeyZIPGKXWRLZXNHN-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-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-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 92683798
7-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 46288662
1-[7-(2,3-dihydroindol-1-ylsulfonyl)-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 22550759
7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one
CID 43479146
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 22548357
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 22548354
3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 9235357
2-[4-(2,3-dihydroindol-1-ylsulfonyl)-2,5-dimethylphenyl]thiazinane 1,1-dioxide
CID 39776233
6-chloro-7-[(2S)-2-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 93065712
6-methyl-7-[4-(2-phenoxypropanoyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53064720
N-(3-methoxyphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288628
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one (CID 5295628) is 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one is Cc1cc2c(cc1S(=O)(=O)N1CCc3ccccc31)NC(=O)CO2.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is ZIPGKXWRLZXNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11-8-15-13(18-17(20)10-23-15)9-16(11)24(21,22)19-7-6-12-4-2-3-5-14(12)19/h2-5,8-9H,6-7,10H2,1H3,(H,18,20).
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one?
6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 344.39 g/mol, XLogP of 2.08, 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)-7-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 5295628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).