4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide

C13H15F2N3O3S — CID 75520385

IUPAC4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)n(C)n1
InChIInChI=1S/C13H15F2N3O3S/c1-9-7-13(18(2)16-9)17-22(19,20)11-5-3-10(4-6-11)21-8-12(14)15/h3-7,12,17H,8H2,1-2H3
InChIKeyHNBYABVNVSOEPL-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.17
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide

4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide (PubChem CID 75520385) has the molecular formula C13H15F2N3O3S and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
PubChem CID75520385
Molecular FormulaC13H15F2N3O3S
Molecular Weight331.34 g/mol
Exact Mass331.08
IUPAC Name4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)n(C)n1
InChIInChI=1S/C13H15F2N3O3S/c1-9-7-13(18(2)16-9)17-22(19,20)11-5-3-10(4-6-11)21-8-12(14)15/h3-7,12,17H,8H2,1-2H3
InChIKeyHNBYABVNVSOEPL-UHFFFAOYSA-N
XLogP2.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide (CID 75520385) is 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)n(C)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is HNBYABVNVSOEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3S/c1-9-7-13(18(2)16-9)17-22(19,20)11-5-3-10(4-6-11)21-8-12(14)15/h3-7,12,17H,8H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 331.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75520385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).