4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide

C19H22N2O3S — CID 155569076

IUPAC4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
InChIKeyANSQGLIVAPZOKH-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.43
Rot. Bonds4

About 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide

4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 155569076) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID155569076
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24)
InChIKeyANSQGLIVAPZOKH-UHFFFAOYSA-N
XLogP2.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide (CID 155569076) is 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ANSQGLIVAPZOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c20-25(23,24)18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H2,20,23,24).
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide?
4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 155569076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).