N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C17H20N2O2S — CID 2814220

IUPACN-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,15-9-3-1-4-10-15)18-16-11-5-6-12-17(16)19-13-7-2-8-14-19/h1,3-6,9-12,18H,2,7-8,13-14H2
InChIKeyBMRUUIFPMPTPJL-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.48
Rot. Bonds4

About N-(2-piperidin-1-ylphenyl)benzenesulfonamide

N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 2814220) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID2814220
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-22(21,15-9-3-1-4-10-15)18-16-11-5-6-12-17(16)19-13-7-2-8-14-19/h1,3-6,9-12,18H,2,7-8,13-14H2
InChIKeyBMRUUIFPMPTPJL-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 2814220) is N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is BMRUUIFPMPTPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,15-9-3-1-4-10-15)18-16-11-5-6-12-17(16)19-13-7-2-8-14-19/h1,3-6,9-12,18H,2,7-8,13-14H2.
What are the key properties of N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2814220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).