2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide

C12H11N3O6S — CID 807989

IUPAC2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O6S/c1-8-11(6-7-21-8)12(16)13-14-22(19,20)10-4-2-9(3-5-10)15(17)18/h2-7,14H,1H3,(H,13,16)
InChIKeyVPUGNDUDZPJJMB-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.12
Rot. Bonds5

About 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide

2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide (PubChem CID 807989) has the molecular formula C12H11N3O6S and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
PubChem CID807989
Molecular FormulaC12H11N3O6S
Molecular Weight325.30 g/mol
Exact Mass325.04
IUPAC Name2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O6S/c1-8-11(6-7-21-8)12(16)13-14-22(19,20)10-4-2-9(3-5-10)15(17)18/h2-7,14H,1H3,(H,13,16)
InChIKeyVPUGNDUDZPJJMB-UHFFFAOYSA-N
XLogP1.12
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
CID 8615778
2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
CID 8615831
3-methyl-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 19167027
2-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylfuran-3-carbohydrazide
CID 8823087
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663405
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
3-hydroxy-N'-(4-nitrophenyl)sulfonylbenzohydrazide
CID 1129573
N-(benzenesulfonyl)-2-methylfuran-3-carboxamide
CID 47231856
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide
CID 56826270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide (CID 807989) is 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide is Cc1occc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide?
The InChIKey is VPUGNDUDZPJJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6S/c1-8-11(6-7-21-8)12(16)13-14-22(19,20)10-4-2-9(3-5-10)15(17)18/h2-7,14H,1H3,(H,13,16).
What are the key properties of 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide?
2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide has a molecular weight of 325.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-nitrophenyl)sulfonylfuran-3-carbohydrazide is sourced from PubChem (CID 807989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).