[4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

C26H28N2O5S — CID 70689965

IUPAC[4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)Nc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O5S/c1-34(31,32)27-23-12-14-24(15-13-23)33-25(29)28-18-16-22(17-19-28)26(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,27,30H,16-19H2,1H3
InChIKeyKWNLPIYZEZMTOL-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.20
Rot. Bonds6

About [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

[4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 70689965) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID70689965
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCS(=O)(=O)Nc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O5S/c1-34(31,32)27-23-12-14-24(15-13-23)33-25(29)28-18-16-22(17-19-28)26(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,27,30H,16-19H2,1H3
InChIKeyKWNLPIYZEZMTOL-UHFFFAOYSA-N
XLogP4.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 70689965) is [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is CS(=O)(=O)Nc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is KWNLPIYZEZMTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-34(31,32)27-23-12-14-24(15-13-23)33-25(29)28-18-16-22(17-19-28)26(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,27,30H,16-19H2,1H3.
What are the key properties of [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
[4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 480.59 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methanesulfonamido)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 70689965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).