N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

C15H18N2O4S — CID 26980796

IUPACN'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1
InChIInChI=1S/C15H18N2O4S/c1-9-5-6-13(7-10(9)2)22(19,20)17-16-15(18)14-8-11(3)21-12(14)4/h5-8,17H,1-4H3,(H,16,18)
InChIKeyYTCNLDQCYLEGPL-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.14
Rot. Bonds4

About N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide

N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 26980796) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
PubChem CID26980796
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1
InChIInChI=1S/C15H18N2O4S/c1-9-5-6-13(7-10(9)2)22(19,20)17-16-15(18)14-8-11(3)21-12(14)4/h5-8,17H,1-4H3,(H,16,18)
InChIKeyYTCNLDQCYLEGPL-UHFFFAOYSA-N
XLogP2.14
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.14
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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Related Compounds

N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2426820
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
CID 29424945
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26487286
2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
CID 134040433
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
CID 8617039

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (CID 26980796) is N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)c(C)o1.
What is the InChIKey of N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is YTCNLDQCYLEGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-9-5-6-13(7-10(9)2)22(19,20)17-16-15(18)14-8-11(3)21-12(14)4/h5-8,17H,1-4H3,(H,16,18).
What are the key properties of N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 322.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26980796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).