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

C17H17ClF2O3S — CID 91524933

IUPAC1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol
SMILESCCCCC(O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2O3S/c1-2-3-10-17(21,15-11-13(19)6-9-16(15)20)24(22,23)14-7-4-12(18)5-8-14/h4-9,11,21H,2-3,10H2,1H3
InChIKeyLWKWRQGLIBPBHJ-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.43
Rot. Bonds6

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

1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol (PubChem CID 91524933) has the molecular formula C17H17ClF2O3S and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol
PubChem CID91524933
Molecular FormulaC17H17ClF2O3S
Molecular Weight374.84 g/mol
Exact Mass374.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol
SMILESCCCCC(O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2O3S/c1-2-3-10-17(21,15-11-13(19)6-9-16(15)20)24(22,23)14-7-4-12(18)5-8-14/h4-9,11,21H,2-3,10H2,1H3
InChIKeyLWKWRQGLIBPBHJ-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)hexan-1-ol
CID 23028783
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
CID 117047827
bis(2,5-difluorophenyl)methanedisulfonic acid
CID 90187825
ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
CID 142175698
3-(4-chlorophenyl)sulfonyl-3-methylbutan-2-one
CID 115048708
2-(2,5-difluorophenyl)sulfonyl-2-propylpentanoic acid
CID 60987173
2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid
CID 63541856
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol
CID 59875248
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol (CID 91524933) is 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol is CCCCC(O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol?
The InChIKey is LWKWRQGLIBPBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2O3S/c1-2-3-10-17(21,15-11-13(19)6-9-16(15)20)24(22,23)14-7-4-12(18)5-8-14/h4-9,11,21H,2-3,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol?
1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol has a molecular weight of 374.84 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol is sourced from PubChem (CID 91524933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).