1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride

C6H10Cl2N2O2S — CID 51051877

IUPAC1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)Cl.Cl
InChIInChI=1S/C6H9ClN2O2S.ClH/c1-4-6(12(7,10)11)5(2)9(3)8-4;/h1-3H3;1H
InChIKeyNIQBSGRUIVPSHL-UHFFFAOYSA-N
MW245.13 g/mol
LogP1.39
Rot. Bonds1

About 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride

1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride (PubChem CID 51051877) has the molecular formula C6H10Cl2N2O2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride
PubChem CID51051877
Molecular FormulaC6H10Cl2N2O2S
Molecular Weight245.13 g/mol
Exact Mass243.98
IUPAC Name1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)Cl.Cl
InChIInChI=1S/C6H9ClN2O2S.ClH/c1-4-6(12(7,10)11)5(2)9(3)8-4;/h1-3H3;1H
InChIKeyNIQBSGRUIVPSHL-UHFFFAOYSA-N
XLogP1.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride?
The IUPAC name of 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride (CID 51051877) is 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride?
The canonical SMILES for 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)Cl.Cl.
What is the InChIKey of 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride?
The InChIKey is NIQBSGRUIVPSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S.ClH/c1-4-6(12(7,10)11)5(2)9(3)8-4;/h1-3H3;1H.
What are the key properties of 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride?
1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride has a molecular weight of 245.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 51051877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).