2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine

C8H11Cl2N3O3S — CID 66103136

IUPAC2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(S(=O)(=O)CC(C)CCl)n1
InChIInChI=1S/C8H11Cl2N3O3S/c1-5(3-9)4-17(14,15)8-12-6(10)11-7(13-8)16-2/h5H,3-4H2,1-2H3
InChIKeyVSQWMMSBHARXRQ-UHFFFAOYSA-N
MW300.17 g/mol
LogP1.18
Rot. Bonds5

About 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine

2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine (PubChem CID 66103136) has the molecular formula C8H11Cl2N3O3S and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine
PubChem CID66103136
Molecular FormulaC8H11Cl2N3O3S
Molecular Weight300.17 g/mol
Exact Mass298.99
IUPAC Name2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(S(=O)(=O)CC(C)CCl)n1
InChIInChI=1S/C8H11Cl2N3O3S/c1-5(3-9)4-17(14,15)8-12-6(10)11-7(13-8)16-2/h5H,3-4H2,1-2H3
InChIKeyVSQWMMSBHARXRQ-UHFFFAOYSA-N
XLogP1.18
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine
CID 66105799
2-(2-chloroethylsulfonyl)-4,6-dimethoxy-1,3,5-triazine
CID 62860551
4-chloro-2-(3-chloro-2-methylpropyl)sulfonyl-1,3-thiazole
CID 83156023
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
1-(3-chloro-2-methylpropyl)sulfonyl-2,3,4,5,6-pentafluorobenzene
CID 66103140
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
5-(3-chloro-2-methylpropyl)sulfonyl-3-ethyl-1,2,4-thiadiazole
CID 66104251
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
1-(3-chloro-2-methylpropyl)sulfonyl-2-(trifluoromethylsulfonyl)benzene
CID 66104704
3-chloro-4-(3-chloro-2-methylpropyl)sulfonylpyridine
CID 79840721
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine (CID 66103136) is 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(S(=O)(=O)CC(C)CCl)n1.
What is the InChIKey of 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine?
The InChIKey is VSQWMMSBHARXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O3S/c1-5(3-9)4-17(14,15)8-12-6(10)11-7(13-8)16-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine?
2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine has a molecular weight of 300.17 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 66103136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).