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

C27H30N2O5S — CID 70696293

IUPAC[4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2O5S/c1-28(2)35(32,33)25-15-13-24(14-16-25)34-26(30)29-19-17-23(18-20-29)27(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,31H,17-20H2,1-2H3
InChIKeyNOKAMCQRCZZFJQ-UHFFFAOYSA-N
MW494.61 g/mol
LogP4.08
Rot. Bonds6

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

[4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 70696293) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID70696293
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name[4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2O5S/c1-28(2)35(32,33)25-15-13-24(14-16-25)34-26(30)29-19-17-23(18-20-29)27(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,31H,17-20H2,1-2H3
InChIKeyNOKAMCQRCZZFJQ-UHFFFAOYSA-N
XLogP4.08
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 70696293) is [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is CN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is NOKAMCQRCZZFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-28(2)35(32,33)25-15-13-24(14-16-25)34-26(30)29-19-17-23(18-20-29)27(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,31H,17-20H2,1-2H3.
What are the key properties of [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
[4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 494.61 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 70696293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).