2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

C13H9F2N3O2S2 — CID 3768622

IUPAC2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccs2)[nH]n1)c1c(F)cccc1F
InChIInChI=1S/C13H9F2N3O2S2/c14-8-3-1-4-9(15)13(8)22(19,20)18-12-7-10(16-17-12)11-5-2-6-21-11/h1-7H,(H2,16,17,18)
InChIKeyQCNSQIYWXKOSQG-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.22
Rot. Bonds4

About 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 3768622) has the molecular formula C13H9F2N3O2S2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID3768622
Molecular FormulaC13H9F2N3O2S2
Molecular Weight341.36 g/mol
Exact Mass341.01
IUPAC Name2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cccs2)[nH]n1)c1c(F)cccc1F
InChIInChI=1S/C13H9F2N3O2S2/c14-8-3-1-4-9(15)13(8)22(19,20)18-12-7-10(16-17-12)11-5-2-6-21-11/h1-7H,(H2,16,17,18)
InChIKeyQCNSQIYWXKOSQG-UHFFFAOYSA-N
XLogP3.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 3768622) is 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2cccs2)[nH]n1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is QCNSQIYWXKOSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2S2/c14-8-3-1-4-9(15)13(8)22(19,20)18-12-7-10(16-17-12)11-5-2-6-21-11/h1-7H,(H2,16,17,18).
What are the key properties of 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 341.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 3768622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).