2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole

C24H21NO2S — CID 101497449

IUPAC2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole
SMILESCc1ccc(S(=O)(=O)/C=C(/c2ccccc2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21NO2S/c1-17-12-14-20(15-13-17)28(26,27)16-22(19-8-4-3-5-9-19)24-18(2)25-23-11-7-6-10-21(23)24/h3-16,25H,1-2H3/b22-16-
InChIKeyFHKUBEIQTPJSRI-JWGURIENSA-N
MW387.50 g/mol
LogP5.65
Rot. Bonds4

About 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole

2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole (PubChem CID 101497449) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole
PubChem CID101497449
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC Name2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole
SMILESCc1ccc(S(=O)(=O)/C=C(/c2ccccc2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H21NO2S/c1-17-12-14-20(15-13-17)28(26,27)16-22(19-8-4-3-5-9-19)24-18(2)25-23-11-7-6-10-21(23)24/h3-16,25H,1-2H3/b22-16-
InChIKeyFHKUBEIQTPJSRI-JWGURIENSA-N
XLogP5.65
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole
CID 102573297
3-[(Z)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole
CID 11394220
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
4,4-bis(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 134840474
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole-3-carboxamide
CID 24617781
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethane-1,2-dione
CID 43063930
N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
CID 162411750
(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
CID 136873762
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
CID 170645728
CID 170645728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole?
The IUPAC name of 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole (CID 101497449) is 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole?
The canonical SMILES for 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole is Cc1ccc(S(=O)(=O)/C=C(/c2ccccc2)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole?
The InChIKey is FHKUBEIQTPJSRI-JWGURIENSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-17-12-14-20(15-13-17)28(26,27)16-22(19-8-4-3-5-9-19)24-18(2)25-23-11-7-6-10-21(23)24/h3-16,25H,1-2H3/b22-16-.
What are the key properties of 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole?
2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole has a molecular weight of 387.50 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole is sourced from PubChem (CID 101497449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).