N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide

C17H14N2O3S2 — CID 135298548

IUPACN'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C17H14N2O3S2/c20-17(18-19-24(21,22)16-7-2-1-3-8-16)14-6-4-5-13(11-14)15-9-10-23-12-15/h1-12,19H,(H,18,20)
InChIKeyLUAAERUIRSDRHS-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.04
Rot. Bonds5

About N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide

N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide (PubChem CID 135298548) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide
PubChem CID135298548
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC NameN'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C17H14N2O3S2/c20-17(18-19-24(21,22)16-7-2-1-3-8-16)14-6-4-5-13(11-14)15-9-10-23-12-15/h1-12,19H,(H,18,20)
InChIKeyLUAAERUIRSDRHS-UHFFFAOYSA-N
XLogP3.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 134581289
N'-benzoylthiophene-2-carbohydrazide
CID 790437
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
3-chloro-N'-(2-fluorophenyl)sulfonyl-5-thiophen-2-ylbenzohydrazide
CID 124132118
N'-(2-fluorophenyl)sulfonyl-3-thiophen-2-ylbenzohydrazide
CID 124132176
N'-(benzenesulfonyl)-3-thiophen-2-ylbenzohydrazide
CID 124132186
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
N,N-diethyl-4-{[2-(2-thienylcarbonyl)hydrazino]carbonyl}benzenesulfonamide
CID 1381288
N-{4-[N''-(Thiophene-2-carbonyl)-hydrazinocarbonyl]-cyclohexylmethyl}-benzenesulfonamide
CID 44370179
2,4,6-tri(propan-2-yl)-N-[[4-[(thiophene-2-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 44370214
4-Methyl-N-{4-[N''-(thiophene-2-carbonyl)-hydrazinocarbonyl]-cyclohexylmethyl}-benzenesulfonamide
CID 44370240

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide (CID 135298548) is N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide?
The InChIKey is LUAAERUIRSDRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-17(18-19-24(21,22)16-7-2-1-3-8-16)14-6-4-5-13(11-14)15-9-10-23-12-15/h1-12,19H,(H,18,20).
What are the key properties of N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide?
N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide has a molecular weight of 358.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide is sourced from PubChem (CID 135298548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).