4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol

C18H13ClO5S2 — CID 19710946

IUPAC4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
SMILESO=S(=O)(c1ccccc1)c1ccc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H13ClO5S2/c19-13-6-8-15(9-7-13)26(23,24)18-12-16(10-11-17(18)20)25(21,22)14-4-2-1-3-5-14/h1-12,20H
InChIKeyBVROKUYAXPOBPX-UHFFFAOYSA-N
MW408.88 g/mol
LogP3.71
Rot. Bonds4

About 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol

4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol (PubChem CID 19710946) has the molecular formula C18H13ClO5S2 and a molecular weight of 408.88 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
PubChem CID19710946
Molecular FormulaC18H13ClO5S2
Molecular Weight408.88 g/mol
Exact Mass407.99
IUPAC Name4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
SMILESO=S(=O)(c1ccccc1)c1ccc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H13ClO5S2/c19-13-6-8-15(9-7-13)26(23,24)18-12-16(10-11-17(18)20)25(21,22)14-4-2-1-3-5-14/h1-12,20H
InChIKeyBVROKUYAXPOBPX-UHFFFAOYSA-N
XLogP3.71
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol
CID 139819703
3-[2-hydroxy-5-[4-hydroxy-3-(3-sulfophenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzenesulfonic acid
CID 89107671
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
N-benzyl-2-chloro-5-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 1355651
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
2,4-bis[(4-chlorophenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696725
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
2-(benzenesulfonyl)-5-chloroaniline
CID 20552660
5-(benzenesulfonyl)-3,4-dimethylbenzene-1,2-diol
CID 101301694
3-(4-chlorophenyl)sulfonylbenzaldehyde
CID 87544782
4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2-fluorophenol
CID 69013367
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol (CID 19710946) is 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol is O=S(=O)(c1ccccc1)c1ccc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol?
The InChIKey is BVROKUYAXPOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO5S2/c19-13-6-8-15(9-7-13)26(23,24)18-12-16(10-11-17(18)20)25(21,22)14-4-2-1-3-5-14/h1-12,20H.
What are the key properties of 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol?
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol has a molecular weight of 408.88 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol is sourced from PubChem (CID 19710946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).