2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide

C11H12FN3O2S — CID 55219654

IUPAC2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide
SMILESCc1cc(S(N)(=O)=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C11H12FN3O2S/c1-8-5-11(18(13,16)17)15(14-8)7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3,(H2,13,16,17)
InChIKeyOIBVCHGWFVYYJG-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.03
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide

2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide (PubChem CID 55219654) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide
PubChem CID55219654
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide
SMILESCc1cc(S(N)(=O)=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C11H12FN3O2S/c1-8-5-11(18(13,16)17)15(14-8)7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3,(H2,13,16,17)
InChIKeyOIBVCHGWFVYYJG-UHFFFAOYSA-N
XLogP1.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide (CID 55219654) is 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide is Cc1cc(S(N)(=O)=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide?
The InChIKey is OIBVCHGWFVYYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-5-11(18(13,16)17)15(14-8)7-9-3-2-4-10(12)6-9/h2-6H,7H2,1H3,(H2,13,16,17).
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide?
2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 55219654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).