N-benzyl-3-piperidin-1-ylsulfonylbenzamide

C19H22N2O3S — CID 1076673

IUPACN-benzyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2O3S/c22-19(20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)25(23,24)21-12-5-2-6-13-21/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,20,22)
InChIKeyQAXYZIGXQZJYPS-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.79
Rot. Bonds5

About N-benzyl-3-piperidin-1-ylsulfonylbenzamide

N-benzyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1076673) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1076673
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H22N2O3S/c22-19(20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)25(23,24)21-12-5-2-6-13-21/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,20,22)
InChIKeyQAXYZIGXQZJYPS-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-3-piperidin-1-ylsulfonylbenzamide (CID 1076673) is N-benzyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-3-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-benzyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QAXYZIGXQZJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)25(23,24)21-12-5-2-6-13-21/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,20,22).
What are the key properties of N-benzyl-3-piperidin-1-ylsulfonylbenzamide?
N-benzyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1076673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).