1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene

C15H13FO2S — CID 14580172

IUPAC1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene
SMILESC=C(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO2S/c1-12(13-7-9-14(16)10-8-13)11-19(17,18)15-5-3-2-4-6-15/h2-10H,1,11H2
InChIKeyKVQIOWQESLLYFO-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.31
Rot. Bonds4

About 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene

1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene (PubChem CID 14580172) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene
PubChem CID14580172
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene
SMILESC=C(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO2S/c1-12(13-7-9-14(16)10-8-13)11-19(17,18)15-5-3-2-4-6-15/h2-10H,1,11H2
InChIKeyKVQIOWQESLLYFO-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylprop-2-enylsulfonyl)naphthalene
CID 14925064
2-(benzenesulfonylmethyl)prop-2-enoic acid
CID 14296318
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
3-(benzenesulfonyl)-1,2-bis(4-fluorophenyl)propan-1-one
CID 122231061
3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914
3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene
CID 11747046
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene
CID 138971767
fluorobenzene;prop-2-enylsulfonylbenzene
CID 174649158
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
CID 18871869
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
(2R)-1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 1474072

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene (CID 14580172) is 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene is C=C(CS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene?
The InChIKey is KVQIOWQESLLYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-12(13-7-9-14(16)10-8-13)11-19(17,18)15-5-3-2-4-6-15/h2-10H,1,11H2.
What are the key properties of 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene?
1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene has a molecular weight of 276.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene is sourced from PubChem (CID 14580172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).