2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide

C10H10N4O4S2 — CID 66355013

IUPAC2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H10N4O4S2/c11-12-9-2-1-8(14(15)16)5-10(9)20(17,18)13-7-3-4-19-6-7/h1-6,12-13H,11H2
InChIKeyMGTDZTAHXXUKJY-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.74
Rot. Bonds5

About 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide

2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66355013) has the molecular formula C10H10N4O4S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66355013
Molecular FormulaC10H10N4O4S2
Molecular Weight314.35 g/mol
Exact Mass314.01
IUPAC Name2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H10N4O4S2/c11-12-9-2-1-8(14(15)16)5-10(9)20(17,18)13-7-3-4-19-6-7/h1-6,12-13H,11H2
InChIKeyMGTDZTAHXXUKJY-UHFFFAOYSA-N
XLogP1.74
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.74
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'}

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Related Compounds

2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
2-hydrazinyl-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912879
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
CID 80746827
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
4-(methylamino)-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 66355471
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
2-methylsulfonyl-4-nitro-N-[(2R)-2-thiophen-3-ylpropyl]aniline
CID 99858263
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
2-hydrazinyl-N-morpholin-4-yl-5-nitrobenzenesulfonamide
CID 83018413
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide (CID 66355013) is 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide is NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is MGTDZTAHXXUKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S2/c11-12-9-2-1-8(14(15)16)5-10(9)20(17,18)13-7-3-4-19-6-7/h1-6,12-13H,11H2.
What are the key properties of 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide?
2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 314.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66355013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).