N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide

C29H34N2O2S — CID 91489416

IUPACN-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)C1CCN([C@@H]2CCCC[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C29H34N2O2S/c32-34(33,27-16-8-3-9-17-27)31(25-14-6-2-7-15-25)26-20-22-30(23-21-26)29-19-11-10-18-28(29)24-12-4-1-5-13-24/h1-9,12-17,26,28-29H,10-11,18-23H2/t28-,29-/m1/s1
InChIKeyQYMXCVQMAAMQMM-FQLXRVMXSA-N
MW474.67 g/mol
LogP6.07
Rot. Bonds6

About N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide

N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 91489416) has the molecular formula C29H34N2O2S and a molecular weight of 474.67 g/mol. Its IUPAC name is N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
PubChem CID91489416
Molecular FormulaC29H34N2O2S
Molecular Weight474.67 g/mol
Exact Mass474.23
IUPAC NameN-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccccc1)C1CCN([C@@H]2CCCC[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C29H34N2O2S/c32-34(33,27-16-8-3-9-17-27)31(25-14-6-2-7-15-25)26-20-22-30(23-21-26)29-19-11-10-18-28(29)24-12-4-1-5-13-24/h1-9,12-17,26,28-29H,10-11,18-23H2/t28-,29-/m1/s1
InChIKeyQYMXCVQMAAMQMM-FQLXRVMXSA-N
XLogP6.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide (CID 91489416) is N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1ccccc1)C1CCN([C@@H]2CCCC[C@@H]2c2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is QYMXCVQMAAMQMM-FQLXRVMXSA-N. The full InChI is InChI=1S/C29H34N2O2S/c32-34(33,27-16-8-3-9-17-27)31(25-14-6-2-7-15-25)26-20-22-30(23-21-26)29-19-11-10-18-28(29)24-12-4-1-5-13-24/h1-9,12-17,26,28-29H,10-11,18-23H2/t28-,29-/m1/s1.
What are the key properties of N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 474.67 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 91489416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).