3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide

C12H14FN3O2S — CID 55171066

IUPAC3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide
SMILESCCc1cc(S(N)(=O)=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C12H14FN3O2S/c1-2-11-7-12(19(14,17)18)16(15-11)8-9-4-3-5-10(13)6-9/h3-7H,2,8H2,1H3,(H2,14,17,18)
InChIKeyRFBOGJVFOSOEHD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.28
Rot. Bonds4

About 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide

3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide (PubChem CID 55171066) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide
PubChem CID55171066
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide
SMILESCCc1cc(S(N)(=O)=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C12H14FN3O2S/c1-2-11-7-12(19(14,17)18)16(15-11)8-9-4-3-5-10(13)6-9/h3-7H,2,8H2,1H3,(H2,14,17,18)
InChIKeyRFBOGJVFOSOEHD-UHFFFAOYSA-N
XLogP1.28
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide?
The IUPAC name of 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide (CID 55171066) is 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide.
What is the SMILES notation for 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide?
The canonical SMILES for 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide is CCc1cc(S(N)(=O)=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide?
The InChIKey is RFBOGJVFOSOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-2-11-7-12(19(14,17)18)16(15-11)8-9-4-3-5-10(13)6-9/h3-7H,2,8H2,1H3,(H2,14,17,18).
What are the key properties of 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide?
3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole-5-sulfonamide is sourced from PubChem (CID 55171066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).