1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol

C13H15FO3S2 — CID 115780125

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H15FO3S2/c1-19(16,17)6-2-3-11(15)13-7-9-4-5-10(14)8-12(9)18-13/h4-5,7-8,11,15H,2-3,6H2,1H3
InChIKeyVOVZCEUQFIIJFF-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.90
Rot. Bonds5

About 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol

1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 115780125) has the molecular formula C13H15FO3S2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID115780125
Molecular FormulaC13H15FO3S2
Molecular Weight302.39 g/mol
Exact Mass302.04
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H15FO3S2/c1-19(16,17)6-2-3-11(15)13-7-9-4-5-10(14)8-12(9)18-13/h4-5,7-8,11,15H,2-3,6H2,1H3
InChIKeyVOVZCEUQFIIJFF-UHFFFAOYSA-N
XLogP2.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 105290885
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
CID 81104324
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 102829631
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol (CID 115780125) is 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCCC(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is VOVZCEUQFIIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3S2/c1-19(16,17)6-2-3-11(15)13-7-9-4-5-10(14)8-12(9)18-13/h4-5,7-8,11,15H,2-3,6H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol?
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 302.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 115780125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).