N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide

C12H13N3O3S2 — CID 52940435

IUPACN-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
SMILESCN(c1ccsc1C(=O)NN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13N3O3S2/c1-15(10-7-8-19-11(10)12(16)14-13)20(17,18)9-5-3-2-4-6-9/h2-8H,13H2,1H3,(H,14,16)
InChIKeyGUHVBYDZJJIUDF-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.18
Rot. Bonds4

About N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide

N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide (PubChem CID 52940435) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
PubChem CID52940435
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide
SMILESCN(c1ccsc1C(=O)NN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13N3O3S2/c1-15(10-7-8-19-11(10)12(16)14-13)20(17,18)9-5-3-2-4-6-9/h2-8H,13H2,1H3,(H,14,16)
InChIKeyGUHVBYDZJJIUDF-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[3-[benzenesulfonyl(methyl)amino]thiophene-2-carbonyl]amino]benzoate
CID 46391728
3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
CID 46391656
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 51364501
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391736
N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737
N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46391720
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 55246094

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide (CID 52940435) is N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide is CN(c1ccsc1C(=O)NN)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide?
The InChIKey is GUHVBYDZJJIUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-15(10-7-8-19-11(10)12(16)14-13)20(17,18)9-5-3-2-4-6-9/h2-8H,13H2,1H3,(H,14,16).
What are the key properties of N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide?
N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide has a molecular weight of 311.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydrazinecarbonyl)thiophen-3-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 52940435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).