2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide

C13H13ClN4O6S — CID 19876585

IUPAC2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide
SMILESCOc1nc(OC)nc(Oc2cccc(Cl)c2C(=O)NS(C)(=O)=O)n1
InChIInChI=1S/C13H13ClN4O6S/c1-22-11-15-12(23-2)17-13(16-11)24-8-6-4-5-7(14)9(8)10(19)18-25(3,20)21/h4-6H,1-3H3,(H,18,19)
InChIKeyOQKDUAPTMATTCY-UHFFFAOYSA-N
MW388.79 g/mol
LogP1.02
Rot. Bonds6

About 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide

2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide (PubChem CID 19876585) has the molecular formula C13H13ClN4O6S and a molecular weight of 388.79 g/mol. Its IUPAC name is 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide
PubChem CID19876585
Molecular FormulaC13H13ClN4O6S
Molecular Weight388.79 g/mol
Exact Mass388.02
IUPAC Name2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide
SMILESCOc1nc(OC)nc(Oc2cccc(Cl)c2C(=O)NS(C)(=O)=O)n1
InChIInChI=1S/C13H13ClN4O6S/c1-22-11-15-12(23-2)17-13(16-11)24-8-6-4-5-7(14)9(8)10(19)18-25(3,20)21/h4-6H,1-3H3,(H,18,19)
InChIKeyOQKDUAPTMATTCY-UHFFFAOYSA-N
XLogP1.02
TPSA129.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.79
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(4,4,4-trifluorobutylsulfonyl)benzamide
CID 134106647
4-(2,3-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80881232
4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 116691277
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-6-(4-chlorophenyl)benzoic acid
CID 134122311
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-hydroxybenzaldehyde
CID 19778876
2-chloro-6-methoxy-N-(2-sulfamoylethyl)benzamide
CID 138016679
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432
disodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;hydride
CID 173060137
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide (CID 19876585) is 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide is COc1nc(OC)nc(Oc2cccc(Cl)c2C(=O)NS(C)(=O)=O)n1.
What is the InChIKey of 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide?
The InChIKey is OQKDUAPTMATTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O6S/c1-22-11-15-12(23-2)17-13(16-11)24-8-6-4-5-7(14)9(8)10(19)18-25(3,20)21/h4-6H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide?
2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide has a molecular weight of 388.79 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 19876585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).