1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene

C17H17ClO2S — CID 155934408

IUPAC1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene
SMILESCC[C@@H](/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO2S/c1-2-16(11-8-14-6-4-3-5-7-14)21(19,20)17-12-9-15(18)10-13-17/h3-13,16H,2H2,1H3/b11-8+/t16-/m0/s1
InChIKeyOJCBMEKLNQNUIU-KXKDPZRNSA-N
MW320.84 g/mol
LogP4.61
Rot. Bonds5

About 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene

1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene (PubChem CID 155934408) has the molecular formula C17H17ClO2S and a molecular weight of 320.84 g/mol. Its IUPAC name is 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene
PubChem CID155934408
Molecular FormulaC17H17ClO2S
Molecular Weight320.84 g/mol
Exact Mass320.06
IUPAC Name1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene
SMILESCC[C@@H](/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO2S/c1-2-16(11-8-14-6-4-3-5-7-14)21(19,20)17-12-9-15(18)10-13-17/h3-13,16H,2H2,1H3/b11-8+/t16-/m0/s1
InChIKeyOJCBMEKLNQNUIU-KXKDPZRNSA-N
XLogP4.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11632263
[(E,3S)-3-cyclopropylsulfonylpent-1-enyl]benzene
CID 155934410
[(E,3S)-3-(benzenesulfonyl)-6-methoxyhex-1-enyl]benzene
CID 155934559
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
1,4-dichloro-2-[(E,2R)-4-phenylbut-3-en-2-yl]sulfonylbenzene
CID 134950152
2-phenylethenesulfonate;tris(4-chlorophenyl)-methylphosphanium
CID 88618335
1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
4-chlorobenzenesulfonate;bis(1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium);iodide
CID 139077545
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11523464
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene?
The IUPAC name of 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene (CID 155934408) is 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene.
What is the SMILES notation for 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene?
The canonical SMILES for 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene is CC[C@@H](/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene?
The InChIKey is OJCBMEKLNQNUIU-KXKDPZRNSA-N. The full InChI is InChI=1S/C17H17ClO2S/c1-2-16(11-8-14-6-4-3-5-7-14)21(19,20)17-12-9-15(18)10-13-17/h3-13,16H,2H2,1H3/b11-8+/t16-/m0/s1.
What are the key properties of 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene?
1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene has a molecular weight of 320.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E,3S)-1-phenylpent-1-en-3-yl]sulfonylbenzene is sourced from PubChem (CID 155934408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).