1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene

C15H13ClO2S — CID 138974047

IUPAC1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
SMILESC=C(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H13ClO2S/c1-11-3-9-15(10-4-11)19(17,18)12(2)13-5-7-14(16)8-6-13/h3-10H,2H2,1H3
InChIKeyWQRKLPXJPXKPSZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.09
Rot. Bonds3

About 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene

1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene (PubChem CID 138974047) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
PubChem CID138974047
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
SMILESC=C(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H13ClO2S/c1-11-3-9-15(10-4-11)19(17,18)12(2)13-5-7-14(16)8-6-13/h3-10H,2H2,1H3
InChIKeyWQRKLPXJPXKPSZ-UHFFFAOYSA-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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Related Compounds

(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
CID 155812790
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
CID 141461209
1-(1-bromoethenylsulfonyl)-4-methylbenzene
CID 13203013
1-(1-iodoethenylsulfonyl)-4-methylbenzene
CID 174930714
1-(4-methylphenyl)sulfonylethenamine
CID 57364782
1-[2-(4-chlorophenyl)-1-isocyanoethenyl]sulfonyl-4-methylbenzene
CID 88773968
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
(4-methylphenyl)sulfonylformyl chloride
CID 12530344

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene?
The IUPAC name of 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene (CID 138974047) is 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene is C=C(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene?
The InChIKey is WQRKLPXJPXKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-11-3-9-15(10-4-11)19(17,18)12(2)13-5-7-14(16)8-6-13/h3-10H,2H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene?
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene 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-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene is sourced from PubChem (CID 138974047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).