N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide

C16H17FN2O5S — CID 9468094

IUPACN'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H17FN2O5S/c1-10-9-14(11(2)24-10)16(21)19-18-15(20)7-8-25(22,23)13-5-3-12(17)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGPIWWQTZVJRCSQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.66
Rot. Bonds5

About N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9468094) has the molecular formula C16H17FN2O5S and a molecular weight of 368.39 g/mol. Its IUPAC name is N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9468094
Molecular FormulaC16H17FN2O5S
Molecular Weight368.39 g/mol
Exact Mass368.08
IUPAC NameN'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C16H17FN2O5S/c1-10-9-14(11(2)24-10)16(21)19-18-15(20)7-8-25(22,23)13-5-3-12(17)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyGPIWWQTZVJRCSQ-UHFFFAOYSA-N
XLogP1.66
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.66
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

N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472671
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9416563
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2426820
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 51168686

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9468094) is N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is GPIWWQTZVJRCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S/c1-10-9-14(11(2)24-10)16(21)19-18-15(20)7-8-25(22,23)13-5-3-12(17)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 368.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9468094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).