methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate

C12H12N2O4S2 — CID 2808375

IUPACmethyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N2O4S2/c1-18-12(15)11-10(7-8-19-11)13-14-20(16,17)9-5-3-2-4-6-9/h2-8,13-14H,1H3
InChIKeyUUZDEUHTAYUKNH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.84
Rot. Bonds5

About methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate

methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate (PubChem CID 2808375) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
PubChem CID2808375
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Namemethyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N2O4S2/c1-18-12(15)11-10(7-8-19-11)13-14-20(16,17)9-5-3-2-4-6-9/h2-8,13-14H,1H3
InChIKeyUUZDEUHTAYUKNH-UHFFFAOYSA-N
XLogP1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate
CID 3130429
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[[3-(2-ethylphenyl)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 67521124
methyl 2-[[3-(benzenesulfonamido)thiophene-2-carbonyl]amino]acetate
CID 19427368
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 65427405
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate (CID 2808375) is methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate is COC(=O)c1sccc1NNS(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate?
The InChIKey is UUZDEUHTAYUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-18-12(15)11-10(7-8-19-11)13-14-20(16,17)9-5-3-2-4-6-9/h2-8,13-14H,1H3.
What are the key properties of methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate?
methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate is sourced from PubChem (CID 2808375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).