3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol

C18H19FO3S — CID 134853381

IUPAC3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol
SMILESCCCC(=C(F)C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19FO3S/c1-2-9-16(23(21,22)15-12-7-4-8-13-15)17(19)18(20)14-10-5-3-6-11-14/h3-8,10-13,18,20H,2,9H2,1H3
InChIKeySJFDJVUZXDJWDW-UHFFFAOYSA-N
MW334.41 g/mol
LogP4.18
Rot. Bonds6

About 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol

3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol (PubChem CID 134853381) has the molecular formula C18H19FO3S and a molecular weight of 334.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol
PubChem CID134853381
Molecular FormulaC18H19FO3S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol
SMILESCCCC(=C(F)C(O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19FO3S/c1-2-9-16(23(21,22)15-12-7-4-8-13-15)17(19)18(20)14-10-5-3-6-11-14/h3-8,10-13,18,20H,2,9H2,1H3
InChIKeySJFDJVUZXDJWDW-UHFFFAOYSA-N
XLogP4.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
US9771320, Example 10
CID 118212056
US9771320, Example 125
CID 118220706
(2-Methanesulfonylphenyl)methanol
CID 22050773

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol?
The IUPAC name of 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol (CID 134853381) is 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol?
The canonical SMILES for 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol is CCCC(=C(F)C(O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol?
The InChIKey is SJFDJVUZXDJWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3S/c1-2-9-16(23(21,22)15-12-7-4-8-13-15)17(19)18(20)14-10-5-3-6-11-14/h3-8,10-13,18,20H,2,9H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol?
3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol has a molecular weight of 334.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol is sourced from PubChem (CID 134853381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).