N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide

C13H16FN3O2S — CID 22208904

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESCc1c(C(C)NS(=O)(=O)c2ccc(F)cc2)cnn1C
InChIInChI=1S/C13H16FN3O2S/c1-9(13-8-15-17(3)10(13)2)16-20(18,19)12-6-4-11(14)5-7-12/h4-9,16H,1-3H3
InChIKeyBZHHDIAAFAKJEM-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.91
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 22208904) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID22208904
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESCc1c(C(C)NS(=O)(=O)c2ccc(F)cc2)cnn1C
InChIInChI=1S/C13H16FN3O2S/c1-9(13-8-15-17(3)10(13)2)16-20(18,19)12-6-4-11(14)5-7-12/h4-9,16H,1-3H3
InChIKeyBZHHDIAAFAKJEM-UHFFFAOYSA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 42955226
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(4-fluorophenyl)sulfonylazetidine-3-carboxamide
CID 92633137
5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912161
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid
CID 54947856
ethyl 3-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]sulfamoyl]benzoate
CID 52509170
4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22209009
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47027427
N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 22209033
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
1-(1,5-dimethylpyrazol-4-yl)-N-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]ethanamine
CID 166289890
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide (CID 22208904) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide is Cc1c(C(C)NS(=O)(=O)c2ccc(F)cc2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is BZHHDIAAFAKJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-9(13-8-15-17(3)10(13)2)16-20(18,19)12-6-4-11(14)5-7-12/h4-9,16H,1-3H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 297.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 22208904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).