1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol

C21H26ClNO3S — CID 2809536

IUPAC1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClNO3S/c1-20(2,3)16-6-10-19(11-7-16)27(25,26)23-14-12-21(24,13-15-23)17-4-8-18(22)9-5-17/h4-11,24H,12-15H2,1-3H3
InChIKeyPKUNKPFVGDBCFJ-UHFFFAOYSA-N
MW407.96 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol

1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 2809536) has the molecular formula C21H26ClNO3S and a molecular weight of 407.96 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID2809536
Molecular FormulaC21H26ClNO3S
Molecular Weight407.96 g/mol
Exact Mass407.13
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClNO3S/c1-20(2,3)16-6-10-19(11-7-16)27(25,26)23-14-12-21(24,13-15-23)17-4-8-18(22)9-5-17/h4-11,24H,12-15H2,1-3H3
InChIKeyPKUNKPFVGDBCFJ-UHFFFAOYSA-N
XLogP4.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.96
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol (CID 2809536) is 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is PKUNKPFVGDBCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3S/c1-20(2,3)16-6-10-19(11-7-16)27(25,26)23-14-12-21(24,13-15-23)17-4-8-18(22)9-5-17/h4-11,24H,12-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol?
1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 407.96 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 2809536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).