N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide

C20H26N2O2S — CID 51031036

IUPACN-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-21(16-18-8-4-2-5-9-18)25(23,24)20-12-10-19(11-13-20)17-22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyCHPBHMSZQMSCEO-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.49
Rot. Bonds6

About N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide

N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide (PubChem CID 51031036) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
PubChem CID51031036
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-21(16-18-8-4-2-5-9-18)25(23,24)20-12-10-19(11-13-20)17-22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyCHPBHMSZQMSCEO-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide (CID 51031036) is N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
The InChIKey is CHPBHMSZQMSCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-21(16-18-8-4-2-5-9-18)25(23,24)20-12-10-19(11-13-20)17-22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide?
N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 51031036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).