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

C19H19F3N6O3S — CID 139349639

IUPACN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H19F3N6O3S/c1-11(6-17-27-24-10-28(17)2)12-4-3-5-13(7-12)25-18(29)15-8-14(32(23,30)31)9-16(26-15)19(20,21)22/h3-5,7-11H,6H2,1-2H3,(H,25,29)(H2,23,30,31)/t11-/m1/s1
InChIKeyXOQHDXJBFXIMOO-LLVKDONJSA-N
MW468.46 g/mol
LogP2.47
Rot. Bonds6

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

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 139349639) has the molecular formula C19H19F3N6O3S and a molecular weight of 468.46 g/mol. Its IUPAC name is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID139349639
Molecular FormulaC19H19F3N6O3S
Molecular Weight468.46 g/mol
Exact Mass468.12
IUPAC NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H19F3N6O3S/c1-11(6-17-27-24-10-28(17)2)12-4-3-5-13(7-12)25-18(29)15-8-14(32(23,30)31)9-16(26-15)19(20,21)22/h3-5,7-11H,6H2,1-2H3,(H,25,29)(H2,23,30,31)/t11-/m1/s1
InChIKeyXOQHDXJBFXIMOO-LLVKDONJSA-N
XLogP2.47
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide (CID 139349639) is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(S(N)(=O)=O)cc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XOQHDXJBFXIMOO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19F3N6O3S/c1-11(6-17-27-24-10-28(17)2)12-4-3-5-13(7-12)25-18(29)15-8-14(32(23,30)31)9-16(26-15)19(20,21)22/h3-5,7-11H,6H2,1-2H3,(H,25,29)(H2,23,30,31)/t11-/m1/s1.
What are the key properties of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-sulfamoyl-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139349639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).