3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide

C11H13FN4O2S — CID 79049233

IUPAC3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cn(C)nc2N)c1
InChIInChI=1S/C11H13FN4O2S/c1-7-3-8(12)5-9(4-7)15-19(17,18)10-6-16(2)14-11(10)13/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyGFJQBMJSMUMHTH-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.25
Rot. Bonds3

About 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 79049233) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID79049233
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cn(C)nc2N)c1
InChIInChI=1S/C11H13FN4O2S/c1-7-3-8(12)5-9(4-7)15-19(17,18)10-6-16(2)14-11(10)13/h3-6,15H,1-2H3,(H2,13,14)
InChIKeyGFJQBMJSMUMHTH-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide (CID 79049233) is 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2cn(C)nc2N)c1.
What is the InChIKey of 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GFJQBMJSMUMHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-7-3-8(12)5-9(4-7)15-19(17,18)10-6-16(2)14-11(10)13/h3-6,15H,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 79049233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).