1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene

C16H14Cl2O2S — CID 134950152

IUPAC1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene
SMILESC[C@H](/C=C/c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O2S/c1-12(7-8-13-5-3-2-4-6-13)21(19,20)16-11-14(17)9-10-15(16)18/h2-12H,1H3/b8-7+/t12-/m1/s1
InChIKeyPFECPKRDEDPZHI-ABZNLYFFSA-N
MW341.26 g/mol
LogP4.87
Rot. Bonds4

About 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene

1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene (PubChem CID 134950152) has the molecular formula C16H14Cl2O2S and a molecular weight of 341.26 g/mol. Its IUPAC name is 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene
PubChem CID134950152
Molecular FormulaC16H14Cl2O2S
Molecular Weight341.26 g/mol
Exact Mass340.01
IUPAC Name1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene
SMILESC[C@H](/C=C/c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O2S/c1-12(7-8-13-5-3-2-4-6-13)21(19,20)16-11-14(17)9-10-15(16)18/h2-12H,1H3/b8-7+/t12-/m1/s1
InChIKeyPFECPKRDEDPZHI-ABZNLYFFSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
CID 64644275
N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide
CID 5406662
1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene
CID 155934408
1-(2,5-dichlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
CID 6200212
2-(N-(2,5-dichlorophenyl)sulfonylanilino)propanoyl chloride
CID 50889608
propan-2-yl 2,5-dichlorobenzenesulfonate
CID 87077321
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
(2R)-N-(2,4-dichlorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 2690528
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
2-phenylethenesulfonate;tris(4-chlorophenyl)-methylphosphanium
CID 88618335
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
2,4-dichloro-1-propan-2-ylsulfonylbenzene
CID 22953661

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene?
The IUPAC name of 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene (CID 134950152) is 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene.
What is the SMILES notation for 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene?
The canonical SMILES for 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene is C[C@H](/C=C/c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene?
The InChIKey is PFECPKRDEDPZHI-ABZNLYFFSA-N. The full InChI is InChI=1S/C16H14Cl2O2S/c1-12(7-8-13-5-3-2-4-6-13)21(19,20)16-11-14(17)9-10-15(16)18/h2-12H,1H3/b8-7+/t12-/m1/s1.
What are the key properties of 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene?
1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene has a molecular weight of 341.26 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene is sourced from PubChem (CID 134950152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).