1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene

C15H13ClO2S — CID 13140759

IUPAC1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene
SMILESCc1ccc(S(=O)(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO2S/c1-12-6-8-14(9-7-12)19(17,18)11-10-13-4-2-3-5-15(13)16/h2-11H,1H3/b11-10+
InChIKeySNXLUSVPXNDIFG-ZHACJKMWSA-N
MW292.79 g/mol
LogP4.09
Rot. Bonds3

About 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene

1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene (PubChem CID 13140759) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene
PubChem CID13140759
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene
SMILESCc1ccc(S(=O)(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO2S/c1-12-6-8-14(9-7-12)19(17,18)11-10-13-4-2-3-5-15(13)16/h2-11H,1H3/b11-10+
InChIKeySNXLUSVPXNDIFG-ZHACJKMWSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene (CID 13140759) is 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene is Cc1ccc(S(=O)(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene?
The InChIKey is SNXLUSVPXNDIFG-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-12-6-8-14(9-7-12)19(17,18)11-10-13-4-2-3-5-15(13)16/h2-11H,1H3/b11-10+.
What are the key properties of 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene?
1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene has a molecular weight of 292.79 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-2-(4-methylphenyl)sulfonylethenyl]benzene is sourced from PubChem (CID 13140759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).