4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol

C34H32Cl4N2O7S2 — CID 59651084

IUPAC4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCC(O)(c4ccc(Cl)c(Cl)c4)CC3)cc2)cc1)N1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C34H32Cl4N2O7S2/c35-29-11-1-23(21-31(29)37)33(41)13-17-39(18-14-33)48(43,44)27-7-3-25(4-8-27)47-26-5-9-28(10-6-26)49(45,46)40-19-15-34(42,16-20-40)24-2-12-30(36)32(38)22-24/h1-12,21-22,41-42H,13-20H2
InChIKeyBDFBOSBBENCXRK-UHFFFAOYSA-N
MW786.58 g/mol
LogP7.44
Rot. Bonds8

About 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol

4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol (PubChem CID 59651084) has the molecular formula C34H32Cl4N2O7S2 and a molecular weight of 786.58 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol
PubChem CID59651084
Molecular FormulaC34H32Cl4N2O7S2
Molecular Weight786.58 g/mol
Exact Mass784.04
IUPAC Name4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCC(O)(c4ccc(Cl)c(Cl)c4)CC3)cc2)cc1)N1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C34H32Cl4N2O7S2/c35-29-11-1-23(21-31(29)37)33(41)13-17-39(18-14-33)48(43,44)27-7-3-25(4-8-27)47-26-5-9-28(10-6-26)49(45,46)40-19-15-34(42,16-20-40)24-2-12-30(36)32(38)22-24/h1-12,21-22,41-42H,13-20H2
InChIKeyBDFBOSBBENCXRK-UHFFFAOYSA-N
XLogP7.44
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.58
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 4991432
2-[3-[1-(4-chlorophenyl)sulfonyl-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoic acid
CID 10694998
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
CID 6733445
1-(4-butylphenyl)sulfonyl-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3841970
4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonylpiperidin-4-ol
CID 652940
4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol
CID 23765903
1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3282411
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
(3,4-dichlorophenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869029
9-(3,4-dichlorophenyl)sulfonyl-1,4,9-triazaspiro[5.5]undecane
CID 152529683

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol (CID 59651084) is 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCC(O)(c4ccc(Cl)c(Cl)c4)CC3)cc2)cc1)N1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol?
The InChIKey is BDFBOSBBENCXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl4N2O7S2/c35-29-11-1-23(21-31(29)37)33(41)13-17-39(18-14-33)48(43,44)27-7-3-25(4-8-27)47-26-5-9-28(10-6-26)49(45,46)40-19-15-34(42,16-20-40)24-2-12-30(36)32(38)22-24/h1-12,21-22,41-42H,13-20H2.
What are the key properties of 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol?
4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol has a molecular weight of 786.58 g/mol, XLogP of 7.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 59651084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).