2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride

C9H7Cl2FO2S — CID 174639267

IUPAC2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride
SMILESC=C(Cl)C(c1ccc(F)cc1)S(=O)(=O)Cl
InChIInChI=1S/C9H7Cl2FO2S/c1-6(10)9(15(11,13)14)7-2-4-8(12)5-3-7/h2-5,9H,1H2
InChIKeyUBQBYYMWZUNNMO-UHFFFAOYSA-N
MW269.12 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride

2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride (PubChem CID 174639267) has the molecular formula C9H7Cl2FO2S and a molecular weight of 269.12 g/mol. Its IUPAC name is 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride
PubChem CID174639267
Molecular FormulaC9H7Cl2FO2S
Molecular Weight269.12 g/mol
Exact Mass267.95
IUPAC Name2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride
SMILESC=C(Cl)C(c1ccc(F)cc1)S(=O)(=O)Cl
InChIInChI=1S/C9H7Cl2FO2S/c1-6(10)9(15(11,13)14)7-2-4-8(12)5-3-7/h2-5,9H,1H2
InChIKeyUBQBYYMWZUNNMO-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide
CID 99858938
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1-(3-bicyclo[3.1.0]hexanyl)-2-chloro-2-(4-fluorophenyl)ethanone
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2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
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(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride
CID 15536025
bis(4-fluorophenyl)methyl trifluoromethanesulfonate
CID 146467020
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
2-bromo-1-(4-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550506
1-chloro-1-(4-fluorophenyl)-3-methylsulfonylpropan-2-one
CID 81242438
1-fluoro-4-[2-fluoro-1-(4-fluorophenyl)ethyl]benzene
CID 170783572
(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane
CID 91455649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
The IUPAC name of 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride (CID 174639267) is 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
The canonical SMILES for 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride is C=C(Cl)C(c1ccc(F)cc1)S(=O)(=O)Cl.
What is the InChIKey of 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
The InChIKey is UBQBYYMWZUNNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO2S/c1-6(10)9(15(11,13)14)7-2-4-8(12)5-3-7/h2-5,9H,1H2.
What are the key properties of 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride?
2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride has a molecular weight of 269.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 174639267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).