4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H21F3N6O3S — CID 139350987

IUPAC4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N6O3S/c1-12(7-18-28-25-11-29(18)3)13-5-4-6-14(8-13)26-19(30)16-9-15(33(31,32)24-2)10-17(27-16)20(21,22)23/h4-6,8-12,24H,7H2,1-3H3,(H,26,30)/t12-/m1/s1
InChIKeyIDDAYJPAPLCPOH-GFCCVEGCSA-N
MW482.49 g/mol
LogP2.74
Rot. Bonds7

About 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 139350987) has the molecular formula C20H21F3N6O3S and a molecular weight of 482.49 g/mol. Its IUPAC name is 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID139350987
Molecular FormulaC20H21F3N6O3S
Molecular Weight482.49 g/mol
Exact Mass482.13
IUPAC Name4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N6O3S/c1-12(7-18-28-25-11-29(18)3)13-5-4-6-14(8-13)26-19(30)16-9-15(33(31,32)24-2)10-17(27-16)20(21,22)23/h4-6,8-12,24H,7H2,1-3H3,(H,26,30)/t12-/m1/s1
InChIKeyIDDAYJPAPLCPOH-GFCCVEGCSA-N
XLogP2.74
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 139350987) is 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)Nc2cccc([C@H](C)Cc3nncn3C)c2)nc(C(F)(F)F)c1.
What is the InChIKey of 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IDDAYJPAPLCPOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21F3N6O3S/c1-12(7-18-28-25-11-29(18)3)13-5-4-6-14(8-13)26-19(30)16-9-15(33(31,32)24-2)10-17(27-16)20(21,22)23/h4-6,8-12,24H,7H2,1-3H3,(H,26,30)/t12-/m1/s1.
What are the key properties of 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139350987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).