1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol

C11H14ClFO3S — CID 65150848

IUPAC1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFO3S/c1-17(15,16)7-3-6-10(14)11-8(12)4-2-5-9(11)13/h2,4-5,10,14H,3,6-7H2,1H3
InChIKeyPENMOSWESJVPJN-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.34
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol

1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol (PubChem CID 65150848) has the molecular formula C11H14ClFO3S and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol
PubChem CID65150848
Molecular FormulaC11H14ClFO3S
Molecular Weight280.75 g/mol
Exact Mass280.03
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFO3S/c1-17(15,16)7-3-6-10(14)11-8(12)4-2-5-9(11)13/h2,4-5,10,14H,3,6-7H2,1H3
InChIKeyPENMOSWESJVPJN-UHFFFAOYSA-N
XLogP2.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol (CID 65150848) is 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is PENMOSWESJVPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3S/c1-17(15,16)7-3-6-10(14)11-8(12)4-2-5-9(11)13/h2,4-5,10,14H,3,6-7H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol?
1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 280.75 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 65150848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).