N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide

C23H30N2O2S — CID 164625903

IUPACN-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O2S/c26-28(27,21-11-5-2-6-12-21)24-22-13-7-8-14-23(22)25-17-15-20(16-18-25)19-9-3-1-4-10-19/h1-6,9-12,20,22-24H,7-8,13-18H2/t22-,23-/m0/s1
InChIKeyWHCSPEJJPAHNND-GOTSBHOMSA-N
MW398.57 g/mol
LogP4.16
Rot. Bonds5

About N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide

N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide (PubChem CID 164625903) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
PubChem CID164625903
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O2S/c26-28(27,21-11-5-2-6-12-21)24-22-13-7-8-14-23(22)25-17-15-20(16-18-25)19-9-3-1-4-10-19/h1-6,9-12,20,22-24H,7-8,13-18H2/t22-,23-/m0/s1
InChIKeyWHCSPEJJPAHNND-GOTSBHOMSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
CID 118728609
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
[2-(3-Fluorophenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479858
[2-(3-Ethylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479859
Methyl[2-(4-methylphenyl)-4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine
CID 479865
[2-(3,5-Dimethylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479868
Methyl[2-(3-methylphenyl)-4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine
CID 479883
1-(Benzenesulfonyl)-4-benzylpiperidine
CID 727417
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide (CID 164625903) is N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide is O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is WHCSPEJJPAHNND-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H30N2O2S/c26-28(27,21-11-5-2-6-12-21)24-22-13-7-8-14-23(22)25-17-15-20(16-18-25)19-9-3-1-4-10-19/h1-6,9-12,20,22-24H,7-8,13-18H2/t22-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide?
N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 398.57 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 164625903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).