1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide

C12H14FN3O2S — CID 55070719

IUPAC1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)n(-c2cccc(F)c2)n1
InChIInChI=1S/C12H14FN3O2S/c1-8(2)11-7-12(19(14,17)18)16(15-11)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,17,18)
InChIKeyIEQLKFIYQGAZIQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.78
Rot. Bonds3

About 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide

1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide (PubChem CID 55070719) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide
PubChem CID55070719
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)n(-c2cccc(F)c2)n1
InChIInChI=1S/C12H14FN3O2S/c1-8(2)11-7-12(19(14,17)18)16(15-11)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,17,18)
InChIKeyIEQLKFIYQGAZIQ-UHFFFAOYSA-N
XLogP1.78
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide (CID 55070719) is 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide is CC(C)c1cc(S(N)(=O)=O)n(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide?
The InChIKey is IEQLKFIYQGAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8(2)11-7-12(19(14,17)18)16(15-11)10-5-3-4-9(13)6-10/h3-8H,1-2H3,(H2,14,17,18).
What are the key properties of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide?
1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-propan-2-ylpyrazole-5-sulfonamide is sourced from PubChem (CID 55070719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).