1-(benzenesulfonyl)-2-ethenyl-3-methylindole

C17H15NO2S — CID 53243035

IUPAC1-(benzenesulfonyl)-2-ethenyl-3-methylindole
SMILESC=Cc1c(C)c2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15NO2S/c1-3-16-13(2)15-11-7-8-12-17(15)18(16)21(19,20)14-9-5-4-6-10-14/h3-12H,1H2,2H3
InChIKeyQRWMOZHZZXHDSY-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.83
Rot. Bonds3

About 1-(benzenesulfonyl)-2-ethenyl-3-methylindole

1-(benzenesulfonyl)-2-ethenyl-3-methylindole (PubChem CID 53243035) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-ethenyl-3-methylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-ethenyl-3-methylindole
PubChem CID53243035
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name1-(benzenesulfonyl)-2-ethenyl-3-methylindole
SMILESC=Cc1c(C)c2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15NO2S/c1-3-16-13(2)15-11-7-8-12-17(15)18(16)21(19,20)14-9-5-4-6-10-14/h3-12H,1H2,2H3
InChIKeyQRWMOZHZZXHDSY-UHFFFAOYSA-N
XLogP3.83
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-3-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]indole
CID 102127844
(E)-4-[1-(benzenesulfonyl)-3-methylindol-2-yl]but-3-en-2-one
CID 10427309
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
CID 139187424
[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
CID 10452101
9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
1-(benzenesulfonyl)-2-methylindole-3-carbonitrile
CID 139071665
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
9-(benzenesulfonyl)carbazole-4-carbaldehyde
CID 14594814
1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylic acid
CID 87784362
2-ethenyl-3-methyl-1-pyrimidin-2-ylindole
CID 134960562
CID 88904816
CID 88904816

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-ethenyl-3-methylindole?
The IUPAC name of 1-(benzenesulfonyl)-2-ethenyl-3-methylindole (CID 53243035) is 1-(benzenesulfonyl)-2-ethenyl-3-methylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-ethenyl-3-methylindole?
The canonical SMILES for 1-(benzenesulfonyl)-2-ethenyl-3-methylindole is C=Cc1c(C)c2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-ethenyl-3-methylindole?
The InChIKey is QRWMOZHZZXHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-3-16-13(2)15-11-7-8-12-17(15)18(16)21(19,20)14-9-5-4-6-10-14/h3-12H,1H2,2H3.
What are the key properties of 1-(benzenesulfonyl)-2-ethenyl-3-methylindole?
1-(benzenesulfonyl)-2-ethenyl-3-methylindole has a molecular weight of 297.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-ethenyl-3-methylindole is sourced from PubChem (CID 53243035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).