5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride

C10H10Cl2N4O2S — CID 82919032

IUPAC5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1cc(-n2nc(C)c(S(=O)(=O)Cl)c2Cl)nc(C)n1
InChIInChI=1S/C10H10Cl2N4O2S/c1-5-4-8(14-7(3)13-5)16-10(11)9(6(2)15-16)19(12,17)18/h4H,1-3H3
InChIKeyNWOMPAKGACFJKS-UHFFFAOYSA-N
MW321.19 g/mol
LogP2.17
Rot. Bonds2

About 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride

5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride (PubChem CID 82919032) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride
PubChem CID82919032
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC Name5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1cc(-n2nc(C)c(S(=O)(=O)Cl)c2Cl)nc(C)n1
InChIInChI=1S/C10H10Cl2N4O2S/c1-5-4-8(14-7(3)13-5)16-10(11)9(6(2)15-16)19(12,17)18/h4H,1-3H3
InChIKeyNWOMPAKGACFJKS-UHFFFAOYSA-N
XLogP2.17
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride (CID 82919032) is 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride is Cc1cc(-n2nc(C)c(S(=O)(=O)Cl)c2Cl)nc(C)n1.
What is the InChIKey of 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride?
The InChIKey is NWOMPAKGACFJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/c1-5-4-8(14-7(3)13-5)16-10(11)9(6(2)15-16)19(12,17)18/h4H,1-3H3.
What are the key properties of 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride?
5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride has a molecular weight of 321.19 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82919032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).