1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol

C19H20FNO3S — CID 139789098

IUPAC1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol
SMILESCCCc1cc2c(O)c(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNO3S/c1-3-4-15-11-16-17(9-10-18(19(16)22)25(2,23)24)21(15)12-13-5-7-14(20)8-6-13/h5-11,22H,3-4,12H2,1-2H3
InChIKeyVTLICSVTFIDDEA-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.89
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol

1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol (PubChem CID 139789098) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol
PubChem CID139789098
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol
SMILESCCCc1cc2c(O)c(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FNO3S/c1-3-4-15-11-16-17(9-10-18(19(16)22)25(2,23)24)21(15)12-13-5-7-14(20)8-6-13/h5-11,22H,3-4,12H2,1-2H3
InChIKeyVTLICSVTFIDDEA-UHFFFAOYSA-N
XLogP3.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.89
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-methylsulfonyl-2-propylindol-4-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol (CID 139789098) is 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol is CCCc1cc2c(O)c(S(C)(=O)=O)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol?
The InChIKey is VTLICSVTFIDDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-3-4-15-11-16-17(9-10-18(19(16)22)25(2,23)24)21(15)12-13-5-7-14(20)8-6-13/h5-11,22H,3-4,12H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol?
1-[(4-fluorophenyl)methyl]-5-methylsulfonyl-2-propylindol-4-ol has a molecular weight of 361.44 g/mol, XLogP of 3.89, 5 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-methylsulfonyl-2-propylindol-4-ol is sourced from PubChem (CID 139789098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).