1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol

C21H16Cl2O3S — CID 159695182

IUPAC1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol
SMILESC=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H16Cl2O3S/c1-14(24)21-8-7-16(15-5-3-2-4-6-15)9-17(21)13-27(25,26)20-11-18(22)10-19(23)12-20/h2-12,24H,1,13H2
InChIKeySETRUHYSZGNBPF-UHFFFAOYSA-N
MW419.33 g/mol
LogP6.16
Rot. Bonds5

About 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol

1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol (PubChem CID 159695182) has the molecular formula C21H16Cl2O3S and a molecular weight of 419.33 g/mol. Its IUPAC name is 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol.

Molecular Properties

Compound Name1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol
PubChem CID159695182
Molecular FormulaC21H16Cl2O3S
Molecular Weight419.33 g/mol
Exact Mass418.02
IUPAC Name1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol
SMILESC=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H16Cl2O3S/c1-14(24)21-8-7-16(15-5-3-2-4-6-15)9-17(21)13-27(25,26)20-11-18(22)10-19(23)12-20/h2-12,24H,1,13H2
InChIKeySETRUHYSZGNBPF-UHFFFAOYSA-N
XLogP6.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-6-[[2-(1-hydroxyethenyl)-5-phenylphenyl]methylsulfonyl]-2,3-dihydroindol-1-yl]ethanone
CID 148860398
benzenesulfonyl chloride;methyl 2-amino-4-phenylbenzoate;methyl 2-(benzenesulfonylmethyl)-4-phenylbenzoate;methylphosphane
CID 158612627
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]benzoic acid
CID 157440067
4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol
CID 157399683
2-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 160808013
2-[(6-bromo-2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonylmethyl]-4-phenylbenzoic acid
CID 158357228
1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one
CID 162252914
methyl 2-(benzenesulfonylmethyl)-5-[4-(benzenesulfonylmethyl)-3-methoxycarbonylphenyl]benzoate
CID 25171997
2-benzyl-N-chloro-4-phenylbenzamide
CID 87312405
2-chloro-4-phenylbenzoic acid
CID 21487426
methyl 3-[(2-methoxy-5-phenylphenyl)methylsulfonyl]benzoate
CID 157359654
5-chloro-2-[(3,5-dichlorophenyl)sulfonylmethyl]pyridin-3-ol
CID 160896978

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol?
The IUPAC name of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol (CID 159695182) is 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol.
What is the SMILES notation for 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol?
The canonical SMILES for 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol is C=C(O)c1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol?
The InChIKey is SETRUHYSZGNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2O3S/c1-14(24)21-8-7-16(15-5-3-2-4-6-15)9-17(21)13-27(25,26)20-11-18(22)10-19(23)12-20/h2-12,24H,1,13H2.
What are the key properties of 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol?
1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol has a molecular weight of 419.33 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol is sourced from PubChem (CID 159695182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).