2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide

C23H21F3N4O4S — CID 160606298

IUPAC2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC1(C(=O)NCc2ccc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)cc2)Cc2cnccc2N1
InChIInChI=1S/C23H21F3N4O4S/c1-22(12-16-14-27-11-10-18(16)29-22)21(31)28-13-15-6-8-17(9-7-15)35(32,33)30-19-4-2-3-5-20(19)34-23(24,25)26/h2-11,14,29-30H,12-13H2,1H3,(H,28,31)
InChIKeyREXIYXBVKKSPDW-UHFFFAOYSA-N
MW506.51 g/mol
LogP3.82
Rot. Bonds7

About 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide

2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 160606298) has the molecular formula C23H21F3N4O4S and a molecular weight of 506.51 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID160606298
Molecular FormulaC23H21F3N4O4S
Molecular Weight506.51 g/mol
Exact Mass506.12
IUPAC Name2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC1(C(=O)NCc2ccc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)cc2)Cc2cnccc2N1
InChIInChI=1S/C23H21F3N4O4S/c1-22(12-16-14-27-11-10-18(16)29-22)21(31)28-13-15-6-8-17(9-7-15)35(32,33)30-19-4-2-3-5-20(19)34-23(24,25)26/h2-11,14,29-30H,12-13H2,1H3,(H,28,31)
InChIKeyREXIYXBVKKSPDW-UHFFFAOYSA-N
XLogP3.82
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.51
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide (CID 160606298) is 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide is CC1(C(=O)NCc2ccc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)cc2)Cc2cnccc2N1.
What is the InChIKey of 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is REXIYXBVKKSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4S/c1-22(12-16-14-27-11-10-18(16)29-22)21(31)28-13-15-6-8-17(9-7-15)35(32,33)30-19-4-2-3-5-20(19)34-23(24,25)26/h2-11,14,29-30H,12-13H2,1H3,(H,28,31).
What are the key properties of 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide?
2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 506.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[[2-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]methyl]-1,3-dihydropyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 160606298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).