N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide

C12H12N2O4S2 — CID 813098

IUPACN'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C12H12N2O4S2/c1-18-9-4-6-10(7-5-9)20(16,17)14-13-12(15)11-3-2-8-19-11/h2-8,14H,1H3,(H,13,15)
InChIKeyLEYWHFZSQOQYNJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.38
Rot. Bonds5

About N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide

N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide (PubChem CID 813098) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
PubChem CID813098
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC NameN'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C12H12N2O4S2/c1-18-9-4-6-10(7-5-9)20(16,17)14-13-12(15)11-3-2-8-19-11/h2-8,14H,1H3,(H,13,15)
InChIKeyLEYWHFZSQOQYNJ-UHFFFAOYSA-N
XLogP1.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide (CID 813098) is N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
The InChIKey is LEYWHFZSQOQYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-18-9-4-6-10(7-5-9)20(16,17)14-13-12(15)11-3-2-8-19-11/h2-8,14H,1H3,(H,13,15).
What are the key properties of N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide has a molecular weight of 312.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 813098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).