2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide

C11H12FN3O4S — CID 43532793

IUPAC2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2cn[nH]c2)cc1OC
InChIInChI=1S/C11H12FN3O4S/c1-18-9-3-8(12)11(4-10(9)19-2)20(16,17)15-7-5-13-14-6-7/h3-6,15H,1-2H3,(H,13,14)
InChIKeyHOKULJZWIMISBR-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.37
Rot. Bonds5

About 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43532793) has the molecular formula C11H12FN3O4S and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43532793
Molecular FormulaC11H12FN3O4S
Molecular Weight301.30 g/mol
Exact Mass301.05
IUPAC Name2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2cn[nH]c2)cc1OC
InChIInChI=1S/C11H12FN3O4S/c1-18-9-3-8(12)11(4-10(9)19-2)20(16,17)15-7-5-13-14-6-7/h3-6,15H,1-2H3,(H,13,14)
InChIKeyHOKULJZWIMISBR-UHFFFAOYSA-N
XLogP1.37
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43532793) is 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide is COc1cc(F)c(S(=O)(=O)Nc2cn[nH]c2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is HOKULJZWIMISBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4S/c1-18-9-3-8(12)11(4-10(9)19-2)20(16,17)15-7-5-13-14-6-7/h3-6,15H,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 301.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43532793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).