6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one

C18H18N2O4S — CID 92683798

IUPAC6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@@H]1C)OCC(=O)N2
InChIInChI=1S/C18H18N2O4S/c1-11-7-14-16(24-10-18(21)19-14)9-17(11)25(22,23)20-12(2)8-13-5-3-4-6-15(13)20/h3-7,9,12H,8,10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyWYCWXOWZSQGSTN-LBPRGKRZSA-N
MW358.42 g/mol
LogP2.47
Rot. Bonds2

About 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one

6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 92683798) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
PubChem CID92683798
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@@H]1C)OCC(=O)N2
InChIInChI=1S/C18H18N2O4S/c1-11-7-14-16(24-10-18(21)19-14)9-17(11)25(22,23)20-12(2)8-13-5-3-4-6-15(13)20/h3-7,9,12H,8,10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyWYCWXOWZSQGSTN-LBPRGKRZSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55681595
6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
CID 5295628
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 22548357
7-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 46288662
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 22548354
6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 6624083
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
4-[4-methyl-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 92702768
(3R)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid
CID 92863879
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one (CID 92683798) is 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one is Cc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@@H]1C)OCC(=O)N2.
What is the InChIKey of 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is WYCWXOWZSQGSTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-7-14-16(24-10-18(21)19-14)9-17(11)25(22,23)20-12(2)8-13-5-3-4-6-15(13)20/h3-7,9,12H,8,10H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 358.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 92683798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).