2-chloroprop-1-enylsulfonylbenzene

C9H9ClO2S — CID 71326207

IUPAC2-chloroprop-1-enylsulfonylbenzene
SMILESCC(Cl)=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H9ClO2S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRIMLKJMPAWXQDD-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.56
Rot. Bonds2

About 2-chloroprop-1-enylsulfonylbenzene

2-chloroprop-1-enylsulfonylbenzene (PubChem CID 71326207) has the molecular formula C9H9ClO2S and a molecular weight of 216.69 g/mol. Its IUPAC name is 2-chloroprop-1-enylsulfonylbenzene.

Molecular Properties

Compound Name2-chloroprop-1-enylsulfonylbenzene
PubChem CID71326207
Molecular FormulaC9H9ClO2S
Molecular Weight216.69 g/mol
Exact Mass216.00
IUPAC Name2-chloroprop-1-enylsulfonylbenzene
SMILESCC(Cl)=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H9ClO2S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRIMLKJMPAWXQDD-UHFFFAOYSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(1E)-2-bromo-3-methylbuta-1,3-dienyl]sulfonylbenzene
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[2-(benzenesulfonyl)-1-phenylethenyl]benzene
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N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
CID 162400578
N-[(E)-1-(benzenesulfonyl)prop-1-en-2-yl]butan-1-amine
CID 6383965
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
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(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
CID 14785606
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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-1-enylsulfonylbenzene?
The IUPAC name of 2-chloroprop-1-enylsulfonylbenzene (CID 71326207) is 2-chloroprop-1-enylsulfonylbenzene.
What is the SMILES notation for 2-chloroprop-1-enylsulfonylbenzene?
The canonical SMILES for 2-chloroprop-1-enylsulfonylbenzene is CC(Cl)=CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-chloroprop-1-enylsulfonylbenzene?
The InChIKey is RIMLKJMPAWXQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-chloroprop-1-enylsulfonylbenzene?
2-chloroprop-1-enylsulfonylbenzene has a molecular weight of 216.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-1-enylsulfonylbenzene is sourced from PubChem (CID 71326207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).