2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C14H12F3N3O3S — CID 2814173

IUPAC2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H12F3N3O3S/c1-8-11(6-7-12(19-8)14(15,16)17)13(21)20-9-2-4-10(5-3-9)24(18,22)23/h2-7H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyQKSRLDKYFKVZRH-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2814173) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2814173
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H12F3N3O3S/c1-8-11(6-7-12(19-8)14(15,16)17)13(21)20-9-2-4-10(5-3-9)24(18,22)23/h2-7H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyQKSRLDKYFKVZRH-UHFFFAOYSA-N
XLogP2.31
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2814173) is 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QKSRLDKYFKVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-8-11(6-7-12(19-8)14(15,16)17)13(21)20-9-2-4-10(5-3-9)24(18,22)23/h2-7H,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-sulfamoylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2814173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).