N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide

C14H20N2O5S — CID 9055954

IUPACN'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)C2CC2)cc1OCC
InChIInChI=1S/C14H20N2O5S/c1-3-20-12-8-7-11(9-13(12)21-4-2)22(18,19)16-15-14(17)10-5-6-10/h7-10,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyPWHNOPIXVNJASY-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.20
Rot. Bonds8

About N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide

N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide (PubChem CID 9055954) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide
PubChem CID9055954
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)C2CC2)cc1OCC
InChIInChI=1S/C14H20N2O5S/c1-3-20-12-8-7-11(9-13(12)21-4-2)22(18,19)16-15-14(17)10-5-6-10/h7-10,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyPWHNOPIXVNJASY-UHFFFAOYSA-N
XLogP1.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.20
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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Related Compounds

3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
1-(3,4-diethoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987390
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N-cyclohexyl-3-[(3,4-diethoxyphenyl)sulfonylamino]propanamide
CID 55913304
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide
CID 119466628
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119409785
2-[(3,4-diethoxyphenyl)sulfonylamino]-N-piperidin-3-ylacetamide;hydrochloride
CID 119424877
[(4-ethoxy-3-methylphenyl)sulfonylamino]thiourea
CID 65214109
1-(3,4-diethoxyphenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122083252
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119631400

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide?
The IUPAC name of N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide (CID 9055954) is N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide.
What is the SMILES notation for N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide?
The canonical SMILES for N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)C2CC2)cc1OCC.
What is the InChIKey of N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide?
The InChIKey is PWHNOPIXVNJASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-20-12-8-7-11(9-13(12)21-4-2)22(18,19)16-15-14(17)10-5-6-10/h7-10,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide?
N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide has a molecular weight of 328.39 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-diethoxyphenyl)sulfonylcyclopropanecarbohydrazide is sourced from PubChem (CID 9055954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).