N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide

C19H20FN3O2S — CID 25472206

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(12-21-26(24,25)18-10-8-17(20)9-11-18)15(2)23(22-14)13-16-6-4-3-5-7-16/h3-11,21H,12-13H2,1-2H3
InChIKeyFDYDKXSXVKOQGD-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.17
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 25472206) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID25472206
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(12-21-26(24,25)18-10-8-17(20)9-11-18)15(2)23(22-14)13-16-6-4-3-5-7-16/h3-11,21H,12-13H2,1-2H3
InChIKeyFDYDKXSXVKOQGD-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide (CID 25472206) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide is Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is FDYDKXSXVKOQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-14-19(12-21-26(24,25)18-10-8-17(20)9-11-18)15(2)23(22-14)13-16-6-4-3-5-7-16/h3-11,21H,12-13H2,1-2H3.
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 25472206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).