(Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol

C17H17FO3S — CID 14641162

IUPAC(Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol
SMILESCc1ccc(S(=O)(=O)CC(O)/C(F)=C/c2ccccc2)cc1
InChIInChI=1S/C17H17FO3S/c1-13-7-9-15(10-8-13)22(20,21)12-17(19)16(18)11-14-5-3-2-4-6-14/h2-11,17,19H,12H2,1H3/b16-11-
InChIKeyULRUWIQDCKIZAV-WJDWOHSUSA-N
MW320.38 g/mol
LogP3.14
Rot. Bonds5

About (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol

(Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol (PubChem CID 14641162) has the molecular formula C17H17FO3S and a molecular weight of 320.38 g/mol. Its IUPAC name is (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol
PubChem CID14641162
Molecular FormulaC17H17FO3S
Molecular Weight320.38 g/mol
Exact Mass320.09
IUPAC Name(Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol
SMILESCc1ccc(S(=O)(=O)CC(O)/C(F)=C/c2ccccc2)cc1
InChIInChI=1S/C17H17FO3S/c1-13-7-9-15(10-8-13)22(20,21)12-17(19)16(18)11-14-5-3-2-4-6-14/h2-11,17,19H,12H2,1H3/b16-11-
InChIKeyULRUWIQDCKIZAV-WJDWOHSUSA-N
XLogP3.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(E)-1-(2-fluoro-1,1,3,3-tetraoxo-1lambda6,3lambda6-benzodithiol-2-yl)-3-phenylprop-2-en-1-ol
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1,1,1-Trifluoro-4-(4-methylphenyl)sulfonylpent-4-en-2-ol
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(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
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Ctk3H9773
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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol?
The IUPAC name of (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol (CID 14641162) is (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol?
The canonical SMILES for (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol is Cc1ccc(S(=O)(=O)CC(O)/C(F)=C/c2ccccc2)cc1.
What is the InChIKey of (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol?
The InChIKey is ULRUWIQDCKIZAV-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H17FO3S/c1-13-7-9-15(10-8-13)22(20,21)12-17(19)16(18)11-14-5-3-2-4-6-14/h2-11,17,19H,12H2,1H3/b16-11-.
What are the key properties of (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol?
(Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol has a molecular weight of 320.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 14641162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).