1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide

C11H12FN3O2S — CID 17379583

IUPAC1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H12FN3O2S/c1-2-15-8-11(7-13-15)18(16,17)14-10-5-3-4-9(12)6-10/h3-8,14H,2H2,1H3
InChIKeyZKTGQUNXRMYAJY-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.84
Rot. Bonds4

About 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide

1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide (PubChem CID 17379583) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide
PubChem CID17379583
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H12FN3O2S/c1-2-15-8-11(7-13-15)18(16,17)14-10-5-3-4-9(12)6-10/h3-8,14H,2H2,1H3
InChIKeyZKTGQUNXRMYAJY-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide (CID 17379583) is 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
The InChIKey is ZKTGQUNXRMYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-2-15-8-11(7-13-15)18(16,17)14-10-5-3-4-9(12)6-10/h3-8,14H,2H2,1H3.
What are the key properties of 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-fluorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 17379583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).