1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene

C15H13ClO2S — CID 819514

IUPAC1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(Cl)=Cc2ccccc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-12-7-9-14(10-8-12)19(17,18)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGXROTUBEWFNQMT-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.01
Rot. Bonds3

About 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene

1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene (PubChem CID 819514) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
PubChem CID819514
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(Cl)=Cc2ccccc2)cc1
InChIInChI=1S/C15H13ClO2S/c1-12-7-9-14(10-8-12)19(17,18)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGXROTUBEWFNQMT-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-1-chloro-2-phenylethenesulfonic acid;4-methylaniline
CID 90481907
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
1-methyl-4-[(Z)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]sulfonylbenzene
CID 100923020
4-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-N,N-diethylaniline
CID 134920855
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]-4-methylbenzamide
CID 6304047
(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride
CID 10758097
[(E)-1-methylsulfanyl-2-phenylethenyl] 4-methylbenzenesulfonate
CID 134921130
1-[(E)-2-(benzenesulfonyl)-2-chloroethenyl]-2-chlorobenzene
CID 42604498
N-[(E)-1-[bis(benzenesulfonyl)amino]-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 122208299

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene?
The IUPAC name of 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene (CID 819514) is 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene?
The canonical SMILES for 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)C(Cl)=Cc2ccccc2)cc1.
What is the InChIKey of 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene?
The InChIKey is GXROTUBEWFNQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-12-7-9-14(10-8-12)19(17,18)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene?
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene has a molecular weight of 292.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene is sourced from PubChem (CID 819514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).