methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

C14H12F3N3O4S — CID 134158104

IUPACmethyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H12F3N3O4S/c1-24-13(21)8-5-11(25(18,22)23)12(19-7-8)20-10-4-2-3-9(6-10)14(15,16)17/h2-7H,1H3,(H,19,20)(H2,18,22,23)
InChIKeyGVGUOCCJQFBQJX-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.28
Rot. Bonds4

About methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate (PubChem CID 134158104) has the molecular formula C14H12F3N3O4S and a molecular weight of 375.33 g/mol. Its IUPAC name is methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
PubChem CID134158104
Molecular FormulaC14H12F3N3O4S
Molecular Weight375.33 g/mol
Exact Mass375.05
IUPAC Namemethyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H12F3N3O4S/c1-24-13(21)8-5-11(25(18,22)23)12(19-7-8)20-10-4-2-3-9(6-10)14(15,16)17/h2-7H,1H3,(H,19,20)(H2,18,22,23)
InChIKeyGVGUOCCJQFBQJX-UHFFFAOYSA-N
XLogP2.28
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate (CID 134158104) is methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate is COC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c(S(N)(=O)=O)c1.
What is the InChIKey of methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
The InChIKey is GVGUOCCJQFBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4S/c1-24-13(21)8-5-11(25(18,22)23)12(19-7-8)20-10-4-2-3-9(6-10)14(15,16)17/h2-7H,1H3,(H,19,20)(H2,18,22,23).
What are the key properties of methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate has a molecular weight of 375.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate is sourced from PubChem (CID 134158104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).