3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide

C17H19N3O5S2 — CID 9496000

IUPAC3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C17H19N3O5S2/c18-26(22,23)16-8-4-5-14(13-16)17(21)19-9-11-20(12-10-19)27(24,25)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H2,18,22,23)
InChIKeyKOMCCFVKMAMRPW-UHFFFAOYSA-N
MW409.49 g/mol
LogP0.48
Rot. Bonds4

About 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide

3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 9496000) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID9496000
Molecular FormulaC17H19N3O5S2
Molecular Weight409.49 g/mol
Exact Mass409.08
IUPAC Name3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C17H19N3O5S2/c18-26(22,23)16-8-4-5-14(13-16)17(21)19-9-11-20(12-10-19)27(24,25)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H2,18,22,23)
InChIKeyKOMCCFVKMAMRPW-UHFFFAOYSA-N
XLogP0.48
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 9496000) is 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is KOMCCFVKMAMRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c18-26(22,23)16-8-4-5-14(13-16)17(21)19-9-11-20(12-10-19)27(24,25)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H2,18,22,23).
What are the key properties of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide?
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 409.49 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 9496000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).