N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

C15H14F2N2O5S — CID 8502793

IUPACN'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)o1
InChIInChI=1S/C15H14F2N2O5S/c1-8-7-12(9(2)24-8)14(21)19-18-13(20)10-3-5-11(6-4-10)25(22,23)15(16)17/h3-7,15H,1-2H3,(H,18,20)(H,19,21)
InChIKeyFWOSDOSOPGEMIU-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.97
Rot. Bonds4

About N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 8502793) has the molecular formula C15H14F2N2O5S and a molecular weight of 372.35 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID8502793
Molecular FormulaC15H14F2N2O5S
Molecular Weight372.35 g/mol
Exact Mass372.06
IUPAC NameN'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)o1
InChIInChI=1S/C15H14F2N2O5S/c1-8-7-12(9(2)24-8)14(21)19-18-13(20)10-3-5-11(6-4-10)25(22,23)15(16)17/h3-7,15H,1-2H3,(H,18,20)(H,19,21)
InChIKeyFWOSDOSOPGEMIU-UHFFFAOYSA-N
XLogP1.97
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 8502793) is N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)o1.
What is the InChIKey of N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is FWOSDOSOPGEMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O5S/c1-8-7-12(9(2)24-8)14(21)19-18-13(20)10-3-5-11(6-4-10)25(22,23)15(16)17/h3-7,15H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 372.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 8502793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).