N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide

C18H21N3O5S2 — CID 1140002

IUPACN'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O5S2/c22-18(19-20-27(23,24)16-7-3-1-4-8-16)15-9-11-17(12-10-15)28(25,26)21-13-5-2-6-14-21/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,22)
InChIKeyWPNBVXVGMJCWEO-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.48
Rot. Bonds6

About N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide

N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 1140002) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID1140002
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC NameN'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O5S2/c22-18(19-20-27(23,24)16-7-3-1-4-8-16)15-9-11-17(12-10-15)28(25,26)21-13-5-2-6-14-21/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,22)
InChIKeyWPNBVXVGMJCWEO-UHFFFAOYSA-N
XLogP1.48
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide 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 N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide (CID 1140002) is N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is WPNBVXVGMJCWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c22-18(19-20-27(23,24)16-7-3-1-4-8-16)15-9-11-17(12-10-15)28(25,26)21-13-5-2-6-14-21/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,22).
What are the key properties of N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide?
N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 423.52 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 1140002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).