[3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol

C16H14FNO3S2 — CID 22034361

IUPAC[3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol
SMILESCS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)12-6-7-13-14(8-12)18-15(9-19)16(13)22-11-4-2-10(17)3-5-11/h2-8,18-19H,9H2,1H3
InChIKeyAFONTALJVCJYHK-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.35
Rot. Bonds4

About [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol

[3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol (PubChem CID 22034361) has the molecular formula C16H14FNO3S2 and a molecular weight of 351.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol
PubChem CID22034361
Molecular FormulaC16H14FNO3S2
Molecular Weight351.42 g/mol
Exact Mass351.04
IUPAC Name[3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol
SMILESCS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)12-6-7-13-14(8-12)18-15(9-19)16(13)22-11-4-2-10(17)3-5-11/h2-8,18-19H,9H2,1H3
InChIKeyAFONTALJVCJYHK-UHFFFAOYSA-N
XLogP3.35
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-2-methyl-1H-indole
CID 22034364
3-(2,4-Difluoro-phenylsulfanyl)-6-methanesulfonyl-2-methyl-1H-indole
CID 22034374
[6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
CID 118721190
[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
CID 118721193
3-(4-Fluoro-benzenesulfinyl)-6-methanesulfonyl-2-methyl-1H-indole
CID 9968334
3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-1H-indole-2-carboxylic acid
CID 22034355
3-(4-Fluoro-benzenesulfonyl)-6-methanesulfonyl-2-methyl-1H-indole
CID 44393974
2-Hydroxymethyl-1-(4-methylphenyl)sulfonyl-1h-indole
CID 19047814
[3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol
CID 102265657
1-[5,6-difluoro-3-(4-fluorophenyl)-1H-indol-2-yl]-2-methylsulfonylethanol
CID 20286661
1-[3-(3,4-difluorophenyl)-5,6-difluoro-1H-indol-2-yl]-2-methylsulfonylethanol
CID 20286726
1-(5,6-difluoro-3-phenyl-1H-indol-2-yl)-2-methylsulfonylethanol
CID 20286739

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol (CID 22034361) is [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol is CS(=O)(=O)c1ccc2c(Sc3ccc(F)cc3)c(CO)[nH]c2c1.
What is the InChIKey of [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol?
The InChIKey is AFONTALJVCJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S2/c1-23(20,21)12-6-7-13-14(8-12)18-15(9-19)16(13)22-11-4-2-10(17)3-5-11/h2-8,18-19H,9H2,1H3.
What are the key properties of [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol?
[3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol has a molecular weight of 351.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfanyl-6-methylsulfonyl-1H-indol-2-yl]methanol is sourced from PubChem (CID 22034361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).