2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine

C11H10ClN3O3S2 — CID 63238267

IUPAC2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C11H10ClN3O3S2/c1-18-10-13-9(12)14-11(15-10)19-7-3-5-8(6-4-7)20(2,16)17/h3-6H,1-2H3
InChIKeyFTYJBGFJAJZUGT-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.09
Rot. Bonds4

About 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine

2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine (PubChem CID 63238267) has the molecular formula C11H10ClN3O3S2 and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
PubChem CID63238267
Molecular FormulaC11H10ClN3O3S2
Molecular Weight331.81 g/mol
Exact Mass330.99
IUPAC Name2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C11H10ClN3O3S2/c1-18-10-13-9(12)14-11(15-10)19-7-3-5-8(6-4-7)20(2,16)17/h3-6H,1-2H3
InChIKeyFTYJBGFJAJZUGT-UHFFFAOYSA-N
XLogP2.09
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine (CID 63238267) is 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine is COc1nc(Cl)nc(Sc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine?
The InChIKey is FTYJBGFJAJZUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S2/c1-18-10-13-9(12)14-11(15-10)19-7-3-5-8(6-4-7)20(2,16)17/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine?
2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine has a molecular weight of 331.81 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(4-methylsulfonylphenyl)sulfanyl-1,3,5-triazine is sourced from PubChem (CID 63238267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).