potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide

C10H11KN4O2S — CID 23684918

IUPACpotassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide
SMILESCc1ccc(C)c(S(=O)(=O)[N-]n2cnnc2)c1.[K+]
InChIInChI=1S/C10H11N4O2S.K/c1-8-3-4-9(2)10(5-8)17(15,16)13-14-6-11-12-7-14;/h3-7H,1-2H3;/q-1;+1
InChIKeyDEYICXMHPBPQMY-UHFFFAOYSA-N
MW290.39 g/mol
LogP-1.58
Rot. Bonds3

About potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide

potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide (PubChem CID 23684918) has the molecular formula C10H11KN4O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide.

Molecular Properties

Compound Namepotassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide
PubChem CID23684918
Molecular FormulaC10H11KN4O2S
Molecular Weight290.39 g/mol
Exact Mass290.02
IUPAC Namepotassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide
SMILESCc1ccc(C)c(S(=O)(=O)[N-]n2cnnc2)c1.[K+]
InChIInChI=1S/C10H11N4O2S.K/c1-8-3-4-9(2)10(5-8)17(15,16)13-14-6-11-12-7-14;/h3-7H,1-2H3;/q-1;+1
InChIKeyDEYICXMHPBPQMY-UHFFFAOYSA-N
XLogP-1.58
TPSA78.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
The IUPAC name of potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide (CID 23684918) is potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide.
What is the SMILES notation for potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
The canonical SMILES for potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide is Cc1ccc(C)c(S(=O)(=O)[N-]n2cnnc2)c1.[K+].
What is the InChIKey of potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
The InChIKey is DEYICXMHPBPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N4O2S.K/c1-8-3-4-9(2)10(5-8)17(15,16)13-14-6-11-12-7-14;/h3-7H,1-2H3;/q-1;+1.
What are the key properties of potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide has a molecular weight of 290.39 g/mol, XLogP of -1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,5-dimethylphenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide is sourced from PubChem (CID 23684918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).