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

C13H13FN2O4S — CID 26980783

IUPACN'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H13FN2O4S/c1-8-7-12(9(2)20-8)13(17)15-16-21(18,19)11-5-3-10(14)4-6-11/h3-7,16H,1-2H3,(H,15,17)
InChIKeyRLQBCBKGHHSAAF-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.66
Rot. Bonds4

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

N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 26980783) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
PubChem CID26980783
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC NameN'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C13H13FN2O4S/c1-8-7-12(9(2)20-8)13(17)15-16-21(18,19)11-5-3-10(14)4-6-11/h3-7,16H,1-2H3,(H,15,17)
InChIKeyRLQBCBKGHHSAAF-UHFFFAOYSA-N
XLogP1.66
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.66
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-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
2,5-dimethyl-N'-(2,3,4-trifluorophenyl)sulfonylfuran-3-carbohydrazide
CID 29424945
N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468094
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
2,5-dimethyl-N'-thiophen-2-ylsulfonylfuran-3-carbohydrazide
CID 26980778
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
2,5-dimethyl-N'-(2-phenylphenyl)sulfonylfuran-3-carbohydrazide
CID 134040433
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide (CID 26980783) is N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is RLQBCBKGHHSAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-8-7-12(9(2)20-8)13(17)15-16-21(18,19)11-5-3-10(14)4-6-11/h3-7,16H,1-2H3,(H,15,17).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide?
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 312.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26980783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).