5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide

C11H13FN4O2S — CID 60810238

IUPAC5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C11H13FN4O2S/c12-9-4-2-1-3-8(9)5-6-15-19(17,18)10-7-14-16-11(10)13/h1-4,7,15H,5-6H2,(H3,13,14,16)
InChIKeyFGIAEYWKTMXFMH-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.65
Rot. Bonds5

About 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60810238) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID60810238
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C11H13FN4O2S/c12-9-4-2-1-3-8(9)5-6-15-19(17,18)10-7-14-16-11(10)13/h1-4,7,15H,5-6H2,(H3,13,14,16)
InChIKeyFGIAEYWKTMXFMH-UHFFFAOYSA-N
XLogP0.65
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 60810238) is 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCCc1ccccc1F.
What is the InChIKey of 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FGIAEYWKTMXFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c12-9-4-2-1-3-8(9)5-6-15-19(17,18)10-7-14-16-11(10)13/h1-4,7,15H,5-6H2,(H3,13,14,16).
What are the key properties of 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60810238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).