N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide

C11H11F2N3O2S — CID 17376523

IUPACN-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-11-5-8(12)3-4-10(11)13/h3-7,15H,2H2,1H3
InChIKeyIDTQGBKFVOJINU-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.98
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide

N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 17376523) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID17376523
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC NameN-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(F)ccc2F)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-11-5-8(12)3-4-10(11)13/h3-7,15H,2H2,1H3
InChIKeyIDTQGBKFVOJINU-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide (CID 17376523) is N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cc(F)ccc2F)cn1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is IDTQGBKFVOJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-2-16-7-9(6-14-16)19(17,18)15-11-5-8(12)3-4-10(11)13/h3-7,15H,2H2,1H3.
What are the key properties of N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide?
N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 17376523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).