1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile

C20H14N2O2S2 — CID 142472277

IUPAC1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccsc3)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C20H14N2O2S2/c1-14-2-5-17(6-3-14)26(23,24)22-12-19(16-8-9-25-13-16)18-10-15(11-21)4-7-20(18)22/h2-10,12-13H,1H3
InChIKeyFOYDZKAPVYIMIP-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile

1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile (PubChem CID 142472277) has the molecular formula C20H14N2O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile
PubChem CID142472277
Molecular FormulaC20H14N2O2S2
Molecular Weight378.48 g/mol
Exact Mass378.05
IUPAC Name1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccsc3)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C20H14N2O2S2/c1-14-2-5-17(6-3-14)26(23,24)22-12-19(16-8-9-25-13-16)18-10-15(11-21)4-7-20(18)22/h2-10,12-13H,1H3
InChIKeyFOYDZKAPVYIMIP-UHFFFAOYSA-N
XLogP4.79
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylindole-5-carbonitrile
CID 146537436
2-[(E)-[5-cyano-1-(4-methylphenyl)sulfonylindol-3-yl]methylideneamino]guanidine
CID 52946223
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
3-(1,1-diethoxy-5-iodopentyl)-1-(4-methylphenyl)sulfonylindole-5-carbonitrile
CID 122536974
ethane;3-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine
CID 144647082
5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
CID 10002663
3-(4-chlorobutyl)-1-(4-cyanophenyl)sulfonylindole-5-carbonitrile
CID 141355126
3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine
CID 90226259
3-(2,3-dichloro-4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine
CID 118967691
1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
CID 65035369
3-[1-(4-methoxyphenyl)sulfonyl-5-thiophen-3-ylindol-3-yl]propanoic acid
CID 58838255
1-(4-ethylphenyl)sulfonylindole-5-carbonitrile
CID 46890868

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile (CID 142472277) is 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile is Cc1ccc(S(=O)(=O)n2cc(-c3ccsc3)c3cc(C#N)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile?
The InChIKey is FOYDZKAPVYIMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S2/c1-14-2-5-17(6-3-14)26(23,24)22-12-19(16-8-9-25-13-16)18-10-15(11-21)4-7-20(18)22/h2-10,12-13H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile?
1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-thiophen-3-ylindole-5-carbonitrile is sourced from PubChem (CID 142472277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).