N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide

C12H12FN3O2S — CID 670293

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyFFRFUFIVABLWOL-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.03
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 670293) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide
PubChem CID670293
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16)
InChIKeyFFRFUFIVABLWOL-UHFFFAOYSA-N
XLogP2.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide (CID 670293) is N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is FFRFUFIVABLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 670293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).