N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide

C30H30N2O2S — CID 10184484

IUPACN-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H30N2O2S/c33-35(34,30-18-16-27(17-19-30)26-12-6-2-7-13-26)32(28-14-8-3-9-15-28)29-20-22-31(23-21-29)24-25-10-4-1-5-11-25/h1-19,29H,20-24H2
InChIKeyCOHVVFURGOMBGT-UHFFFAOYSA-N
MW482.65 g/mol
LogP6.21
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide (PubChem CID 10184484) has the molecular formula C30H30N2O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
PubChem CID10184484
Molecular FormulaC30H30N2O2S
Molecular Weight482.65 g/mol
Exact Mass482.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H30N2O2S/c33-35(34,30-18-16-27(17-19-30)26-12-6-2-7-13-26)32(28-14-8-3-9-15-28)29-20-22-31(23-21-29)24-25-10-4-1-5-11-25/h1-19,29H,20-24H2
InChIKeyCOHVVFURGOMBGT-UHFFFAOYSA-N
XLogP6.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055393
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858562
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(4-methylphenyl)benzenesulfonamide
CID 46055237
4-chloro-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46055143
N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
CID 46055235
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide (CID 10184484) is N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide is O=S(=O)(c1ccc(-c2ccccc2)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide?
The InChIKey is COHVVFURGOMBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2S/c33-35(34,30-18-16-27(17-19-30)26-12-6-2-7-13-26)32(28-14-8-3-9-15-28)29-20-22-31(23-21-29)24-25-10-4-1-5-11-25/h1-19,29H,20-24H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide has a molecular weight of 482.65 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide is sourced from PubChem (CID 10184484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).