[5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol

C20H22FNO3S — CID 139789173

IUPAC[5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol
SMILESCCCc1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1CO
InChIInChI=1S/C20H22FNO3S/c1-3-4-18-10-15-11-19(26(2,24)25)7-8-20(15)22(18)12-14-5-6-17(21)9-16(14)13-23/h5-11,23H,3-4,12-13H2,1-2H3
InChIKeyJGAWDLDLMASWLR-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.68
Rot. Bonds6

About [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol

[5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol (PubChem CID 139789173) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol
PubChem CID139789173
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name[5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol
SMILESCCCc1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1CO
InChIInChI=1S/C20H22FNO3S/c1-3-4-18-10-15-11-19(26(2,24)25)7-8-20(15)22(18)12-14-5-6-17(21)9-16(14)13-23/h5-11,23H,3-4,12-13H2,1-2H3
InChIKeyJGAWDLDLMASWLR-UHFFFAOYSA-N
XLogP3.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol (CID 139789173) is [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol is CCCc1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1CO.
What is the InChIKey of [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
The InChIKey is JGAWDLDLMASWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-3-4-18-10-15-11-19(26(2,24)25)7-8-20(15)22(18)12-14-5-6-17(21)9-16(14)13-23/h5-11,23H,3-4,12-13H2,1-2H3.
What are the key properties of [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol?
[5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol has a molecular weight of 375.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(5-methylsulfonyl-2-propylindol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 139789173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).