N-benzyl-4-piperidin-1-ylbenzenesulfonamide

C18H22N2O2S — CID 735438

IUPACN-benzyl-4-piperidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c21-23(22,19-15-16-7-3-1-4-8-16)18-11-9-17(10-12-18)20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyCTCLVGDUGQSSBL-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.16
Rot. Bonds5

About N-benzyl-4-piperidin-1-ylbenzenesulfonamide

N-benzyl-4-piperidin-1-ylbenzenesulfonamide (PubChem CID 735438) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-benzyl-4-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-piperidin-1-ylbenzenesulfonamide
PubChem CID735438
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-benzyl-4-piperidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c21-23(22,19-15-16-7-3-1-4-8-16)18-11-9-17(10-12-18)20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyCTCLVGDUGQSSBL-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278603
2-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110405118
4-but-3-enoxy-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 141032460
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
CID 56921177
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-benzyl-6-morpholin-4-ylpyridine-3-sulfonamide
CID 154844946

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-piperidin-1-ylbenzenesulfonamide (CID 735438) is N-benzyl-4-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-piperidin-1-ylbenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-benzyl-4-piperidin-1-ylbenzenesulfonamide?
The InChIKey is CTCLVGDUGQSSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-23(22,19-15-16-7-3-1-4-8-16)18-11-9-17(10-12-18)20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2.
What are the key properties of N-benzyl-4-piperidin-1-ylbenzenesulfonamide?
N-benzyl-4-piperidin-1-ylbenzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 735438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).