1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide

C20H25N3O5S2 — CID 2997696

IUPAC1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O5S2/c21-29(25,26)17-11-9-16(10-12-17)13-14-22-20(24)19-8-4-5-15-23(19)30(27,28)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,22,24)(H2,21,25,26)
InChIKeyDOSVXIZZKMBKRV-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.24
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide (PubChem CID 2997696) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide
PubChem CID2997696
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O5S2/c21-29(25,26)17-11-9-16(10-12-17)13-14-22-20(24)19-8-4-5-15-23(19)30(27,28)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,22,24)(H2,21,25,26)
InChIKeyDOSVXIZZKMBKRV-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide (CID 2997696) is 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is DOSVXIZZKMBKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c21-29(25,26)17-11-9-16(10-12-17)13-14-22-20(24)19-8-4-5-15-23(19)30(27,28)18-6-2-1-3-7-18/h1-3,6-7,9-12,19H,4-5,8,13-15H2,(H,22,24)(H2,21,25,26).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 2997696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).