2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine

C7H10ClN3O4S — CID 62860551

IUPAC2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(S(=O)(=O)CCCl)n1
InChIInChI=1S/C7H10ClN3O4S/c1-14-5-9-6(15-2)11-7(10-5)16(12,13)4-3-8/h3-4H2,1-2H3
InChIKeyGWJVSNUIURGOQD-UHFFFAOYSA-N
MW267.69 g/mol
LogP-0.10
Rot. Bonds5

About 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine

2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 62860551) has the molecular formula C7H10ClN3O4S and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID62860551
Molecular FormulaC7H10ClN3O4S
Molecular Weight267.69 g/mol
Exact Mass267.01
IUPAC Name2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(S(=O)(=O)CCCl)n1
InChIInChI=1S/C7H10ClN3O4S/c1-14-5-9-6(15-2)11-7(10-5)16(12,13)4-3-8/h3-4H2,1-2H3
InChIKeyGWJVSNUIURGOQD-UHFFFAOYSA-N
XLogP-0.10
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine (CID 62860551) is 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(S(=O)(=O)CCCl)n1.
What is the InChIKey of 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is GWJVSNUIURGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O4S/c1-14-5-9-6(15-2)11-7(10-5)16(12,13)4-3-8/h3-4H2,1-2H3.
What are the key properties of 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine?
2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 267.69 g/mol, XLogP of -0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 62860551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).