1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol

C18H15ClO3S — CID 67809223

IUPAC1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(O)C=CC(c2ccccc2)C=C1
InChIInChI=1S/C18H15ClO3S/c19-16-6-8-17(9-7-16)23(21,22)18(20)12-10-15(11-13-18)14-4-2-1-3-5-14/h1-13,15,20H
InChIKeyOZFIRAWDULDFPC-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.71
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol

1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol (PubChem CID 67809223) has the molecular formula C18H15ClO3S and a molecular weight of 346.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol
PubChem CID67809223
Molecular FormulaC18H15ClO3S
Molecular Weight346.84 g/mol
Exact Mass346.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)C1(O)C=CC(c2ccccc2)C=C1
InChIInChI=1S/C18H15ClO3S/c19-16-6-8-17(9-7-16)23(21,22)18(20)12-10-15(11-13-18)14-4-2-1-3-5-14/h1-13,15,20H
InChIKeyOZFIRAWDULDFPC-UHFFFAOYSA-N
XLogP3.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzene;4-chlorobenzenesulfonic acid
CID 159988924
(1R,2R,3R)-2-(4-chlorophenyl)sulfonyl-1-(hydroxymethyl)-3-phenylcyclopropane-1-carboxylic acid
CID 124857867
3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
CID 101290802
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692353
trans-(1R,2S)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 46882594
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
chlorobenzene;sulfamic acid
CID 70097834
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-phenylcyclopentyl]benzenesulfonamide
CID 71694012
3-acetyl-1-(4-chlorophenyl)sulfonyl-4-phenylpyrrolidin-2-one
CID 15994572

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol (CID 67809223) is 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol is O=S(=O)(c1ccc(Cl)cc1)C1(O)C=CC(c2ccccc2)C=C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol?
The InChIKey is OZFIRAWDULDFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3S/c19-16-6-8-17(9-7-16)23(21,22)18(20)12-10-15(11-13-18)14-4-2-1-3-5-14/h1-13,15,20H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol?
1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol has a molecular weight of 346.84 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-phenylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 67809223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).