[1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene

C17H17ClO2S — CID 71383771

IUPAC[1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene
SMILESCC(Cl)=CCC(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17ClO2S/c1-14(18)12-13-17(15-8-4-2-5-9-15)21(19,20)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3
InChIKeyUOFPTKOAZZEHGW-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.73
Rot. Bonds5

About [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene

[1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene (PubChem CID 71383771) has the molecular formula C17H17ClO2S and a molecular weight of 320.84 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene
PubChem CID71383771
Molecular FormulaC17H17ClO2S
Molecular Weight320.84 g/mol
Exact Mass320.06
IUPAC Name[1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene
SMILESCC(Cl)=CCC(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17ClO2S/c1-14(18)12-13-17(15-8-4-2-5-9-15)21(19,20)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3
InChIKeyUOFPTKOAZZEHGW-UHFFFAOYSA-N
XLogP4.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
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1-[2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzene
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4-[(E)-1-(benzenesulfonyl)pent-3-enyl]benzonitrile
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N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098
[(2R)-2-(4-fluorophenyl)sulfonyl-2-phenylethyl]azanium
CID 9161761
benzenesulfonyl(phenyl)methanol
CID 174895803
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N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-3-chloropropane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene?
The IUPAC name of [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene (CID 71383771) is [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene.
What is the SMILES notation for [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene?
The canonical SMILES for [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene is CC(Cl)=CCC(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene?
The InChIKey is UOFPTKOAZZEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2S/c1-14(18)12-13-17(15-8-4-2-5-9-15)21(19,20)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene?
[1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene has a molecular weight of 320.84 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene is sourced from PubChem (CID 71383771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).