3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole

C23H21NO2S — CID 10362126

IUPAC3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3ccccc23)cc1C
InChIInChI=1S/C23H21NO2S/c1-15-8-9-18(14-16(15)2)22-20-6-4-5-7-21(20)24-23(22)17-10-12-19(13-11-17)27(3,25)26/h4-14,24H,1-3H3
InChIKeyLVZLWERZHBFTMD-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.52
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole

3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole (PubChem CID 10362126) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole
PubChem CID10362126
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3ccccc23)cc1C
InChIInChI=1S/C23H21NO2S/c1-15-8-9-18(14-16(15)2)22-20-6-4-5-7-21(20)24-23(22)17-10-12-19(13-11-17)27(3,25)26/h4-14,24H,1-3H3
InChIKeyLVZLWERZHBFTMD-UHFFFAOYSA-N
XLogP5.52
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66547073
1H-Indole, 2-[(phenylsulfinyl)methyl]-3-(phenylthio)-
CID 454845
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825383
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(propan-2-yl)phenyl]benzene-1-sulfonamide
CID 24825384
4-(4-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825385
N-[2-(1H-indol-3-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]benzene-1-sulfonamide
CID 24825386
4-(4-tert-butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825387
4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825402
N-{2-[2-(3-methylphenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825403
Tryptamine sulfonamide, 37j
CID 24825405

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole (CID 10362126) is 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole is Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3ccccc23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
The InChIKey is LVZLWERZHBFTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-15-8-9-18(14-16(15)2)22-20-6-4-5-7-21(20)24-23(22)17-10-12-19(13-11-17)27(3,25)26/h4-14,24H,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole has a molecular weight of 375.49 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-(4-methylsulfonylphenyl)-1H-indole is sourced from PubChem (CID 10362126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).