1,3,5-triazine-2,4-disulfonyl chloride

C3HCl2N3O4S2 — CID 88789072

IUPAC1,3,5-triazine-2,4-disulfonyl chloride
SMILESO=S(=O)(Cl)c1ncnc(S(=O)(=O)Cl)n1
InChIInChI=1S/C3HCl2N3O4S2/c4-13(9,10)2-6-1-7-3(8-2)14(5,11)12/h1H
InChIKeyMWJYXUYMEIDFCR-UHFFFAOYSA-N
MW278.10 g/mol
LogP-0.27
Rot. Bonds2

About 1,3,5-triazine-2,4-disulfonyl chloride

1,3,5-triazine-2,4-disulfonyl chloride (PubChem CID 88789072) has the molecular formula C3HCl2N3O4S2 and a molecular weight of 278.10 g/mol. Its IUPAC name is 1,3,5-triazine-2,4-disulfonyl chloride.

Molecular Properties

Compound Name1,3,5-triazine-2,4-disulfonyl chloride
PubChem CID88789072
Molecular FormulaC3HCl2N3O4S2
Molecular Weight278.10 g/mol
Exact Mass276.88
IUPAC Name1,3,5-triazine-2,4-disulfonyl chloride
SMILESO=S(=O)(Cl)c1ncnc(S(=O)(=O)Cl)n1
InChIInChI=1S/C3HCl2N3O4S2/c4-13(9,10)2-6-1-7-3(8-2)14(5,11)12/h1H
InChIKeyMWJYXUYMEIDFCR-UHFFFAOYSA-N
XLogP-0.27
TPSA106.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4-disulfonyl chloride?
The IUPAC name of 1,3,5-triazine-2,4-disulfonyl chloride (CID 88789072) is 1,3,5-triazine-2,4-disulfonyl chloride.
What is the SMILES notation for 1,3,5-triazine-2,4-disulfonyl chloride?
The canonical SMILES for 1,3,5-triazine-2,4-disulfonyl chloride is O=S(=O)(Cl)c1ncnc(S(=O)(=O)Cl)n1.
What is the InChIKey of 1,3,5-triazine-2,4-disulfonyl chloride?
The InChIKey is MWJYXUYMEIDFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2N3O4S2/c4-13(9,10)2-6-1-7-3(8-2)14(5,11)12/h1H.
What are the key properties of 1,3,5-triazine-2,4-disulfonyl chloride?
1,3,5-triazine-2,4-disulfonyl chloride has a molecular weight of 278.10 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4-disulfonyl chloride is sourced from PubChem (CID 88789072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).