[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol

C25H27NO3S — CID 4784925

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27NO3S/c1-20-12-14-24(15-13-20)30(28,29)26-18-16-23(17-19-26)25(27,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23,27H,16-19H2,1H3
InChIKeyZMUFCPNODSSSIR-UHFFFAOYSA-N
MW421.56 g/mol
LogP4.33
Rot. Bonds5

About [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol (PubChem CID 4784925) has the molecular formula C25H27NO3S and a molecular weight of 421.56 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
PubChem CID4784925
Molecular FormulaC25H27NO3S
Molecular Weight421.56 g/mol
Exact Mass421.17
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27NO3S/c1-20-12-14-24(15-13-20)30(28,29)26-18-16-23(17-19-26)25(27,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23,27H,16-19H2,1H3
InChIKeyZMUFCPNODSSSIR-UHFFFAOYSA-N
XLogP4.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(benzenesulfonyl)piperidin-4-yl]-bis(4-fluorophenyl)methanol
CID 14407073
[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3805662
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151
2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile
CID 22842832
N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide
CID 175063377
4-(4-methylphenyl)sulfonyl-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192118
benzyl 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoate
CID 166448326
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
(3S,4R)-3-(2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 139089883
trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
CID 102254531
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
1-(4-methylphenyl)sulfonyl-4-(3-phenylmethoxypropyl)piperidine
CID 162402953

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol (CID 4784925) is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol is Cc1ccc(S(=O)(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The InChIKey is ZMUFCPNODSSSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3S/c1-20-12-14-24(15-13-20)30(28,29)26-18-16-23(17-19-26)25(27,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23,27H,16-19H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol?
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol has a molecular weight of 421.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 4784925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).