1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide

C10H10FN3O2S — CID 79001284

IUPAC1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C10H10FN3O2S/c11-10-4-2-1-3-8(10)6-14-7-9(5-13-14)17(12,15)16/h1-5,7H,6H2,(H2,12,15,16)
InChIKeyKPUIEUZEIUZMBC-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.72
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide

1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 79001284) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
PubChem CID79001284
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C10H10FN3O2S/c11-10-4-2-1-3-8(10)6-14-7-9(5-13-14)17(12,15)16/h1-5,7H,6H2,(H2,12,15,16)
InChIKeyKPUIEUZEIUZMBC-UHFFFAOYSA-N
XLogP0.72
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide (CID 79001284) is 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is KPUIEUZEIUZMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c11-10-4-2-1-3-8(10)6-14-7-9(5-13-14)17(12,15)16/h1-5,7H,6H2,(H2,12,15,16).
What are the key properties of 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide?
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 255.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 79001284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).