[1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol

C17H16FNO3S — CID 22504394

IUPAC[1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol
SMILESCS(=O)(=O)c1ccc2c(c1)cc(CO)n2Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO3S/c1-23(21,22)16-6-7-17-13(9-16)8-15(11-20)19(17)10-12-2-4-14(18)5-3-12/h2-9,20H,10-11H2,1H3
InChIKeyZAVLYVOZCLXRGH-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.72
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol

[1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol (PubChem CID 22504394) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol
PubChem CID22504394
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name[1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol
SMILESCS(=O)(=O)c1ccc2c(c1)cc(CO)n2Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO3S/c1-23(21,22)16-6-7-17-13(9-16)8-15(11-20)19(17)10-12-2-4-14(18)5-3-12/h2-9,20H,10-11H2,1H3
InChIKeyZAVLYVOZCLXRGH-UHFFFAOYSA-N
XLogP2.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol (CID 22504394) is [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol is CS(=O)(=O)c1ccc2c(c1)cc(CO)n2Cc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol?
The InChIKey is ZAVLYVOZCLXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c1-23(21,22)16-6-7-17-13(9-16)8-15(11-20)19(17)10-12-2-4-14(18)5-3-12/h2-9,20H,10-11H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol?
[1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol has a molecular weight of 333.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-5-methylsulfonylindol-2-yl]methanol is sourced from PubChem (CID 22504394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).