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

C12H11N3O6S — CID 8616963

IUPACN'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O6S/c1-8-4-5-9(7-10(8)15(17)18)22(19,20)14-13-12(16)11-3-2-6-21-11/h2-7,14H,1H3,(H,13,16)
InChIKeyXNNNTJQIZVOBDL-UHFFFAOYSA-N
MW325.30 g/mol
LogP1.12
Rot. Bonds5

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

N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide (PubChem CID 8616963) has the molecular formula C12H11N3O6S and a molecular weight of 325.30 g/mol. Its IUPAC name is N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
PubChem CID8616963
Molecular FormulaC12H11N3O6S
Molecular Weight325.30 g/mol
Exact Mass325.04
IUPAC NameN'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H11N3O6S/c1-8-4-5-9(7-10(8)15(17)18)22(19,20)14-13-12(16)11-3-2-6-21-11/h2-7,14H,1H3,(H,13,16)
InChIKeyXNNNTJQIZVOBDL-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'}

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Related Compounds

N'-(4-hydroxy-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 43001007
2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164866
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)furan-2-carbohydrazide
CID 8616849
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
CID 110454037
3-[(furan-2-carbonylamino)sulfamoyl]-4-methylbenzoic acid
CID 24502103
N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 39887582
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)furan-2-carbohydrazide
CID 8616962
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164873
(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164920

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
The IUPAC name of N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide (CID 8616963) is N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
The canonical SMILES for N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
The InChIKey is XNNNTJQIZVOBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6S/c1-8-4-5-9(7-10(8)15(17)18)22(19,20)14-13-12(16)11-3-2-6-21-11/h2-7,14H,1H3,(H,13,16).
What are the key properties of N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide?
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-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 N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide is sourced from PubChem (CID 8616963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).