4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C20H25N3O5S2 — CID 2161700

IUPAC4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S2/c21-29(25,26)18-8-4-16(5-9-18)12-13-22-20(24)17-6-10-19(11-7-17)30(27,28)23-14-2-1-3-15-23/h4-11H,1-3,12-15H2,(H,22,24)(H2,21,25,26)
InChIKeyKNAILJXPAJSXCO-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.48
Rot. Bonds7

About 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2161700) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2161700
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S2/c21-29(25,26)18-8-4-16(5-9-18)12-13-22-20(24)17-6-10-19(11-7-17)30(27,28)23-14-2-1-3-15-23/h4-11H,1-3,12-15H2,(H,22,24)(H2,21,25,26)
InChIKeyKNAILJXPAJSXCO-UHFFFAOYSA-N
XLogP1.48
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 2161700) is 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is KNAILJXPAJSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c21-29(25,26)18-8-4-16(5-9-18)12-13-22-20(24)17-6-10-19(11-7-17)30(27,28)23-14-2-1-3-15-23/h4-11H,1-3,12-15H2,(H,22,24)(H2,21,25,26).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2161700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).