4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine

C10H8Cl2N4O2S — CID 59284574

IUPAC4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O2S/c1-19(17,18)7-5-3-2-4-6(7)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
InChIKeyCCMPCJVZMBYWPU-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.33
Rot. Bonds3

About 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine (PubChem CID 59284574) has the molecular formula C10H8Cl2N4O2S and a molecular weight of 319.17 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine
PubChem CID59284574
Molecular FormulaC10H8Cl2N4O2S
Molecular Weight319.17 g/mol
Exact Mass317.97
IUPAC Name4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O2S/c1-19(17,18)7-5-3-2-4-6(7)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
InChIKeyCCMPCJVZMBYWPU-UHFFFAOYSA-N
XLogP2.33
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine (CID 59284574) is 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine is CS(=O)(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is CCMPCJVZMBYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2S/c1-19(17,18)7-5-3-2-4-6(7)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16).
What are the key properties of 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 319.17 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 59284574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).