1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide

C7H12FN3O2S — CID 81340837

IUPAC1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCF)c(C)c1S(N)(=O)=O
InChIInChI=1S/C7H12FN3O2S/c1-5-7(14(9,12)13)6(2)11(10-5)4-3-8/h3-4H2,1-2H3,(H2,9,12,13)
InChIKeyRHCLOJNQXXHTEN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.12
Rot. Bonds3

About 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide

1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 81340837) has the molecular formula C7H12FN3O2S and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID81340837
Molecular FormulaC7H12FN3O2S
Molecular Weight221.26 g/mol
Exact Mass221.06
IUPAC Name1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCF)c(C)c1S(N)(=O)=O
InChIInChI=1S/C7H12FN3O2S/c1-5-7(14(9,12)13)6(2)11(10-5)4-3-8/h3-4H2,1-2H3,(H2,9,12,13)
InChIKeyRHCLOJNQXXHTEN-UHFFFAOYSA-N
XLogP0.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 81340837) is 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(CCF)c(C)c1S(N)(=O)=O.
What is the InChIKey of 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is RHCLOJNQXXHTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O2S/c1-5-7(14(9,12)13)6(2)11(10-5)4-3-8/h3-4H2,1-2H3,(H2,9,12,13).
What are the key properties of 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide?
1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 221.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 81340837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).