2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole

C17H17NO2S — CID 6212461

IUPAC2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17NO2S/c1-14-13-16-9-5-6-10-17(16)18(14)21(19,20)12-11-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3/b12-11+
InChIKeyNQDWVDDGTBGMNW-VAWYXSNFSA-N
MW299.40 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole

2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole (PubChem CID 6212461) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole
PubChem CID6212461
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17NO2S/c1-14-13-16-9-5-6-10-17(16)18(14)21(19,20)12-11-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3/b12-11+
InChIKeyNQDWVDDGTBGMNW-VAWYXSNFSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(Z)-2-(4-methylphenyl)ethenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 100855396
1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4986555
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 126802773
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 6624083
ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42992372
3-ethyl-4-(2-phenylethenylsulfonyl)piperazine-2,6-dione
CID 77111938
4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonylmethyl]benzonitrile
CID 41037225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole (CID 6212461) is 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is NQDWVDDGTBGMNW-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-14-13-16-9-5-6-10-17(16)18(14)21(19,20)12-11-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3/b12-11+.
What are the key properties of 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole?
2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 299.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 6212461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).