4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol

C20H24ClNO3S — CID 6733445

IUPAC4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
SMILESCCCc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClNO3S/c1-2-3-16-4-10-19(11-5-16)26(24,25)22-14-12-20(23,13-15-22)17-6-8-18(21)9-7-17/h4-11,23H,2-3,12-15H2,1H3
InChIKeyHNAIGJAMTFTFKA-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.96
Rot. Bonds5

About 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol

4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol (PubChem CID 6733445) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
PubChem CID6733445
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
SMILESCCCc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClNO3S/c1-2-3-16-4-10-19(11-5-16)26(24,25)22-14-12-20(23,13-15-22)17-6-8-18(21)9-7-17/h4-11,23H,2-3,12-15H2,1H3
InChIKeyHNAIGJAMTFTFKA-UHFFFAOYSA-N
XLogP3.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)sulfonyl-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3841970
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
CID 59545535
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
4-(3,4-dichlorophenyl)-1-[4-[4-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenoxy]phenyl]sulfonylpiperidin-4-ol
CID 59651084
1-[(3,4-dichlorophenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22207951
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
2-[3-[1-(4-chlorophenyl)sulfonyl-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoic acid
CID 10694998
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol (CID 6733445) is 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol is CCCc1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is HNAIGJAMTFTFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-2-3-16-4-10-19(11-5-16)26(24,25)22-14-12-20(23,13-15-22)17-6-8-18(21)9-7-17/h4-11,23H,2-3,12-15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol?
4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 393.94 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 6733445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).