1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole

C20H16N2O2S — CID 11244980

IUPAC1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccn3)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O2S/c1-15-9-11-16(12-10-15)25(23,24)22-14-18(19-7-4-5-13-21-19)17-6-2-3-8-20(17)22/h2-14H,1H3
InChIKeyMZMPDVIDCRNQRI-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.25
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole

1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole (PubChem CID 11244980) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
PubChem CID11244980
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccccn3)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O2S/c1-15-9-11-16(12-10-15)25(23,24)22-14-18(19-7-4-5-13-21-19)17-6-2-3-8-20(17)22/h2-14H,1H3
InChIKeyMZMPDVIDCRNQRI-UHFFFAOYSA-N
XLogP4.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155806653
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 90189463
6,6-dimethyl-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-7,8-dihydroquinolin-5-one
CID 53375547
4-[1-(4-bromophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737109
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
3-[(1E,3E)-3-methylpenta-1,3-dienyl]-1-(4-methylphenyl)sulfonylindole
CID 102180391
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
6-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)-2-pyridinyl]indole
CID 101101781
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole (CID 11244980) is 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole is Cc1ccc(S(=O)(=O)n2cc(-c3ccccn3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole?
The InChIKey is MZMPDVIDCRNQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-15-9-11-16(12-10-15)25(23,24)22-14-18(19-7-4-5-13-21-19)17-6-2-3-8-20(17)22/h2-14H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole?
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole has a molecular weight of 348.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole is sourced from PubChem (CID 11244980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).