N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide

C12H12N2O4S — CID 668208

IUPACN'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C12H12N2O4S/c1-9-4-6-10(7-5-9)19(16,17)14-13-12(15)11-3-2-8-18-11/h2-8,14H,1H3,(H,13,15)
InChIKeyADWSDEUNFBPVQU-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.21
Rot. Bonds4

About N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide

N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide (PubChem CID 668208) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide
PubChem CID668208
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C12H12N2O4S/c1-9-4-6-10(7-5-9)19(16,17)14-13-12(15)11-3-2-8-18-11/h2-8,14H,1H3,(H,13,15)
InChIKeyADWSDEUNFBPVQU-UHFFFAOYSA-N
XLogP1.21
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylphenyl)sulfonylfuran-2-carbohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide (CID 668208) is N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide?
The InChIKey is ADWSDEUNFBPVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-9-4-6-10(7-5-9)19(16,17)14-13-12(15)11-3-2-8-18-11/h2-8,14H,1H3,(H,13,15).
What are the key properties of N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide?
N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide has a molecular weight of 280.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonylfuran-2-carbohydrazide is sourced from PubChem (CID 668208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).