6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide

C20H16F3N3O3S — CID 31814558

IUPAC6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C20H16F3N3O3S/c1-13-5-2-10-18(24-13)19(27)25-15-7-4-9-17(12-15)30(28,29)26-16-8-3-6-14(11-16)20(21,22)23/h2-12,26H,1H3,(H,25,27)
InChIKeyRUXSEZCLOGGCBU-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.46
Rot. Bonds5

About 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide

6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 31814558) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
PubChem CID31814558
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C20H16F3N3O3S/c1-13-5-2-10-18(24-13)19(27)25-15-7-4-9-17(12-15)30(28,29)26-16-8-3-6-14(11-16)20(21,22)23/h2-12,26H,1H3,(H,25,27)
InChIKeyRUXSEZCLOGGCBU-UHFFFAOYSA-N
XLogP4.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide (CID 31814558) is 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is RUXSEZCLOGGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c1-13-5-2-10-18(24-13)19(27)25-15-7-4-9-17(12-15)30(28,29)26-16-8-3-6-14(11-16)20(21,22)23/h2-12,26H,1H3,(H,25,27).
What are the key properties of 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide?
6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 31814558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).