(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol

C23H21FO4S — CID 135060995

IUPAC(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol
SMILESCOc1ccc(/C=C/C(O)(c2ccccc2)C(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21FO4S/c1-28-20-14-12-18(13-15-20)16-17-23(25,19-8-4-2-5-9-19)22(24)29(26,27)21-10-6-3-7-11-21/h2-17,22,25H,1H3/b17-16+
InChIKeyJJKKWHCMTPXSRR-WUKNDPDISA-N
MW412.48 g/mol
LogP4.37
Rot. Bonds7

About (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol

(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol (PubChem CID 135060995) has the molecular formula C23H21FO4S and a molecular weight of 412.48 g/mol. Its IUPAC name is (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol
PubChem CID135060995
Molecular FormulaC23H21FO4S
Molecular Weight412.48 g/mol
Exact Mass412.11
IUPAC Name(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol
SMILESCOc1ccc(/C=C/C(O)(c2ccccc2)C(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21FO4S/c1-28-20-14-12-18(13-15-20)16-17-23(25,19-8-4-2-5-9-19)22(24)29(26,27)21-10-6-3-7-11-21/h2-17,22,25H,1H3/b17-16+
InChIKeyJJKKWHCMTPXSRR-WUKNDPDISA-N
XLogP4.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
CID 123460289
N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
CID 91458005
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
CID 101481324
N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
CID 139934221
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 75849829
1-[5-(benzenesulfonyl)-4-methylpenta-1,3-dienyl]-4-methoxybenzene
CID 73028468
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156

Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol?
The IUPAC name of (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol (CID 135060995) is (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol is COc1ccc(/C=C/C(O)(c2ccccc2)C(F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol?
The InChIKey is JJKKWHCMTPXSRR-WUKNDPDISA-N. The full InChI is InChI=1S/C23H21FO4S/c1-28-20-14-12-18(13-15-20)16-17-23(25,19-8-4-2-5-9-19)22(24)29(26,27)21-10-6-3-7-11-21/h2-17,22,25H,1H3/b17-16+.
What are the key properties of (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol?
(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol has a molecular weight of 412.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol is sourced from PubChem (CID 135060995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).