4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol

C17H17ClF2O3S — CID 23028858

IUPAC4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(CCO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2O3S/c1-11(8-9-21)17(15-10-13(19)4-7-16(15)20)24(22,23)14-5-2-12(18)3-6-14/h2-7,10-11,17,21H,8-9H2,1H3
InChIKeyUVFIJTYAZWJSFV-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.15
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol

4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol (PubChem CID 23028858) has the molecular formula C17H17ClF2O3S and a molecular weight of 374.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol
PubChem CID23028858
Molecular FormulaC17H17ClF2O3S
Molecular Weight374.84 g/mol
Exact Mass374.06
IUPAC Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(CCO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2O3S/c1-11(8-9-21)17(15-10-13(19)4-7-16(15)20)24(22,23)14-5-2-12(18)3-6-14/h2-7,10-11,17,21H,8-9H2,1H3
InChIKeyUVFIJTYAZWJSFV-UHFFFAOYSA-N
XLogP4.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol (CID 23028858) is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol is CC(CCO)C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The InChIKey is UVFIJTYAZWJSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2O3S/c1-11(8-9-21)17(15-10-13(19)4-7-16(15)20)24(22,23)14-5-2-12(18)3-6-14/h2-7,10-11,17,21H,8-9H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol?
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol has a molecular weight of 374.84 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 23028858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).