1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide

C5H6F3N3O2S — CID 122500012

IUPAC1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C5H6F3N3O2S/c1-11-3(5(6,7)8)2-4(10-11)14(9,12)13/h2H,1H3,(H2,9,12,13)
InChIKeyIWLNZHBRUJJHDM-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.09
Rot. Bonds1

About 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide

1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide (PubChem CID 122500012) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide
PubChem CID122500012
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC Name1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C5H6F3N3O2S/c1-11-3(5(6,7)8)2-4(10-11)14(9,12)13/h2H,1H3,(H2,9,12,13)
InChIKeyIWLNZHBRUJJHDM-UHFFFAOYSA-N
XLogP0.09
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide (CID 122500012) is 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide is Cn1nc(S(N)(=O)=O)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide?
The InChIKey is IWLNZHBRUJJHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c1-11-3(5(6,7)8)2-4(10-11)14(9,12)13/h2H,1H3,(H2,9,12,13).
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide?
1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 122500012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).