N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide

C14H16N2O6S — CID 8615856

IUPACN'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H16N2O6S/c1-9-11(6-7-22-9)14(17)15-16-23(18,19)13-8-10(20-2)4-5-12(13)21-3/h4-8,16H,1-3H3,(H,15,17)
InChIKeyHFFBFKMHWGJRRA-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.23
Rot. Bonds6

About N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide

N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide (PubChem CID 8615856) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
PubChem CID8615856
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC NameN'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C14H16N2O6S/c1-9-11(6-7-22-9)14(17)15-16-23(18,19)13-8-10(20-2)4-5-12(13)21-3/h4-8,16H,1-3H3,(H,15,17)
InChIKeyHFFBFKMHWGJRRA-UHFFFAOYSA-N
XLogP1.23
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.23
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

N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
CID 8501055
4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823855
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
CID 8615831
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841327
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
CID 78815298
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
N'-(2,5-dimethoxyphenyl)sulfonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26952094
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370292

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide (CID 8615856) is N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide is COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccoc2C)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide?
The InChIKey is HFFBFKMHWGJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S/c1-9-11(6-7-22-9)14(17)15-16-23(18,19)13-8-10(20-2)4-5-12(13)21-3/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide?
N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide has a molecular weight of 340.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 8615856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).