2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide

C12H9ClF3N5O4S — CID 18998189

IUPAC2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide
SMILESCOc1nc(NC(=O)c2cccc(S(N)(=O)=O)c2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H9ClF3N5O4S/c1-25-11-20-9(12(14,15)16)19-10(21-11)18-8(22)5-3-2-4-6(7(5)13)26(17,23)24/h2-4H,1H3,(H2,17,23,24)(H,18,19,20,21,22)
InChIKeyKEAMMPOXXDZOOU-UHFFFAOYSA-N
MW411.75 g/mol
LogP1.45
Rot. Bonds4

About 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide

2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide (PubChem CID 18998189) has the molecular formula C12H9ClF3N5O4S and a molecular weight of 411.75 g/mol. Its IUPAC name is 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide
PubChem CID18998189
Molecular FormulaC12H9ClF3N5O4S
Molecular Weight411.75 g/mol
Exact Mass411.00
IUPAC Name2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide
SMILESCOc1nc(NC(=O)c2cccc(S(N)(=O)=O)c2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H9ClF3N5O4S/c1-25-11-20-9(12(14,15)16)19-10(21-11)18-8(22)5-3-2-4-6(7(5)13)26(17,23)24/h2-4H,1H3,(H2,17,23,24)(H,18,19,20,21,22)
InChIKeyKEAMMPOXXDZOOU-UHFFFAOYSA-N
XLogP1.45
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.75
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-iodo-N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylbenzamide
CID 142784147
methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate;[2-methyl-6-(trifluoromethoxy)phenyl]methanamine
CID 91063616
(5-chloro-4,6-dimethylpyrimidin-2-yl)carbamoyl 2-sulfamoylbenzoate
CID 88715719
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
1-benzyl-3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea;1-[(2-chlorophenyl)methyl]-3-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]urea
CID 91397105
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 121137096
1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylic acid;1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea
CID 87379875
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-[[2-(trifluoromethyl)phenyl]sulfonylamino]methylidene]-methoxy-[2-(trifluoromethyl)phenyl]sulfonylazanium
CID 56627919
sodium;1-[4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea;hydride
CID 173259349
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide (CID 18998189) is 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide is COc1nc(NC(=O)c2cccc(S(N)(=O)=O)c2Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide?
The InChIKey is KEAMMPOXXDZOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N5O4S/c1-25-11-20-9(12(14,15)16)19-10(21-11)18-8(22)5-3-2-4-6(7(5)13)26(17,23)24/h2-4H,1H3,(H2,17,23,24)(H,18,19,20,21,22).
What are the key properties of 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide?
2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide has a molecular weight of 411.75 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-sulfamoylbenzamide is sourced from PubChem (CID 18998189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).