4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide

C12H13F2N3O3S — CID 63038335

IUPAC4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide
SMILESCCn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)cn1
InChIInChI=1S/C12H13F2N3O3S/c1-2-17-6-8(5-16-17)7-20-9-3-4-10(21(15,18)19)12(14)11(9)13/h3-6H,2,7H2,1H3,(H2,15,18,19)
InChIKeyFKJRUZFRAPTEFU-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.41
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide

4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide (PubChem CID 63038335) has the molecular formula C12H13F2N3O3S and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide
PubChem CID63038335
Molecular FormulaC12H13F2N3O3S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Name4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide
SMILESCCn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)cn1
InChIInChI=1S/C12H13F2N3O3S/c1-2-17-6-8(5-16-17)7-20-9-3-4-10(21(15,18)19)12(14)11(9)13/h3-6H,2,7H2,1H3,(H2,15,18,19)
InChIKeyFKJRUZFRAPTEFU-UHFFFAOYSA-N
XLogP1.41
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide (CID 63038335) is 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide is CCn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide?
The InChIKey is FKJRUZFRAPTEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3S/c1-2-17-6-8(5-16-17)7-20-9-3-4-10(21(15,18)19)12(14)11(9)13/h3-6H,2,7H2,1H3,(H2,15,18,19).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide?
4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide has a molecular weight of 317.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methoxy]-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 63038335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).