1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene

C10H11ClO2S — CID 11264729

IUPAC1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C/C=C/Cl)cc1
InChIInChI=1S/C10H11ClO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-7H,8H2,1H3/b7-2+
InChIKeyYQHNFNZCHFKZBT-FARCUNLSSA-N
MW230.72 g/mol
LogP2.52
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene

1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene (PubChem CID 11264729) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene
PubChem CID11264729
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C/C=C/Cl)cc1
InChIInChI=1S/C10H11ClO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-7H,8H2,1H3/b7-2+
InChIKeyYQHNFNZCHFKZBT-FARCUNLSSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene (CID 11264729) is 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)C/C=C/Cl)cc1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene?
The InChIKey is YQHNFNZCHFKZBT-FARCUNLSSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-7H,8H2,1H3/b7-2+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene?
1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene has a molecular weight of 230.72 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 11264729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).