N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide

C19H21N3O2S — CID 563196

IUPACN-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O2S/c20-14-16-6-8-19(9-7-16)25(23,24)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,21H,10-13,15H2
InChIKeyQUZYPOVBRHGWIS-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.50
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide (PubChem CID 563196) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide
PubChem CID563196
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O2S/c20-14-16-6-8-19(9-7-16)25(23,24)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,21H,10-13,15H2
InChIKeyQUZYPOVBRHGWIS-UHFFFAOYSA-N
XLogP2.50
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide (CID 563196) is N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide?
The InChIKey is QUZYPOVBRHGWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c20-14-16-6-8-19(9-7-16)25(23,24)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,21H,10-13,15H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 563196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).