[3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol

C22H18FNO3S — CID 102265657

IUPAC[3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2c(CO)c(-c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C22H18FNO3S/c1-15-6-12-18(13-7-15)28(26,27)24-20-5-3-2-4-19(20)22(21(24)14-25)16-8-10-17(23)11-9-16/h2-13,25H,14H2,1H3
InChIKeyOMMVMODQIWHHSF-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.49
Rot. Bonds4

About [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol

[3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol (PubChem CID 102265657) has the molecular formula C22H18FNO3S and a molecular weight of 395.46 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol
PubChem CID102265657
Molecular FormulaC22H18FNO3S
Molecular Weight395.46 g/mol
Exact Mass395.10
IUPAC Name[3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2c(CO)c(-c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C22H18FNO3S/c1-15-6-12-18(13-7-15)28(26,27)24-20-5-3-2-4-19(20)22(21(24)14-25)16-8-10-17(23)11-9-16/h2-13,25H,14H2,1H3
InChIKeyOMMVMODQIWHHSF-UHFFFAOYSA-N
XLogP4.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol (CID 102265657) is [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol is Cc1ccc(S(=O)(=O)n2c(CO)c(-c3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol?
The InChIKey is OMMVMODQIWHHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3S/c1-15-6-12-18(13-7-15)28(26,27)24-20-5-3-2-4-19(20)22(21(24)14-25)16-8-10-17(23)11-9-16/h2-13,25H,14H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol?
[3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol has a molecular weight of 395.46 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindol-2-yl]methanol is sourced from PubChem (CID 102265657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).