4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C12H14FN3O2S — CID 107326922

IUPAC4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H14FN3O2S/c1-8-3-11(13)4-9(2)12(8)19(17,18)16-7-10-5-14-15-6-10/h3-6,16H,7H2,1-2H3,(H,14,15)
InChIKeyHXRFCRUHWJNWLR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.64
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 107326922) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID107326922
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H14FN3O2S/c1-8-3-11(13)4-9(2)12(8)19(17,18)16-7-10-5-14-15-6-10/h3-6,16H,7H2,1-2H3,(H,14,15)
InChIKeyHXRFCRUHWJNWLR-UHFFFAOYSA-N
XLogP1.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 107326922) is 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is HXRFCRUHWJNWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-8-3-11(13)4-9(2)12(8)19(17,18)16-7-10-5-14-15-6-10/h3-6,16H,7H2,1-2H3,(H,14,15).
What are the key properties of 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107326922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).