5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide

C11H12N4O4S2 — CID 63244446

IUPAC5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccsc2)c1
InChIInChI=1S/C11H12N4O4S2/c12-14-9-1-2-10(15(16)17)11(5-9)21(18,19)13-6-8-3-4-20-7-8/h1-5,7,13-14H,6,12H2
InChIKeyLOFKRACYZFEFFZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.42
Rot. Bonds6

About 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide

5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 63244446) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID63244446
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccsc2)c1
InChIInChI=1S/C11H12N4O4S2/c12-14-9-1-2-10(15(16)17)11(5-9)21(18,19)13-6-8-3-4-20-7-8/h1-5,7,13-14H,6,12H2
InChIKeyLOFKRACYZFEFFZ-UHFFFAOYSA-N
XLogP1.42
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide 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-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
3-bromo-4-nitro-N-(thiophen-3-ylmethyl)aniline
CID 82862423
2-hydrazinyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244355
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
3-amino-4-nitro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 82847383
3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 55175261
5-bromo-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 65343552
ethyl 2-nitro-5-(thiophen-3-ylmethylamino)benzoate
CID 133373967
4-nitro-3-propan-2-yloxy-N-(thiophen-3-ylmethyl)aniline
CID 83012303

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 63244446) is 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide is NNc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccsc2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is LOFKRACYZFEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c12-14-9-1-2-10(15(16)17)11(5-9)21(18,19)13-6-8-3-4-20-7-8/h1-5,7,13-14H,6,12H2.
What are the key properties of 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide?
5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 328.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63244446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).