4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol

C17H17Cl2NO3S — CID 174551834

IUPAC4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)c1ccccc1C1(O)CCNCC1
InChIInChI=1S/C17H17Cl2NO3S/c18-12-5-6-16(14(19)11-12)24(22,23)15-4-2-1-3-13(15)17(21)7-9-20-10-8-17/h1-6,11,20-21H,7-10H2
InChIKeyBFIZMBSUFCIBAG-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.40
Rot. Bonds3

About 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol

4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol (PubChem CID 174551834) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol
PubChem CID174551834
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC Name4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)c1ccccc1C1(O)CCNCC1
InChIInChI=1S/C17H17Cl2NO3S/c18-12-5-6-16(14(19)11-12)24(22,23)15-4-2-1-3-13(15)17(21)7-9-20-10-8-17/h1-6,11,20-21H,7-10H2
InChIKeyBFIZMBSUFCIBAG-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol (CID 174551834) is 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol is O=S(=O)(c1ccc(Cl)cc1Cl)c1ccccc1C1(O)CCNCC1.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol?
The InChIKey is BFIZMBSUFCIBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c18-12-5-6-16(14(19)11-12)24(22,23)15-4-2-1-3-13(15)17(21)7-9-20-10-8-17/h1-6,11,20-21H,7-10H2.
What are the key properties of 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol?
4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol has a molecular weight of 386.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)sulfonylphenyl]piperidin-4-ol is sourced from PubChem (CID 174551834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).