N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide

C17H15F4N3O2S — CID 175581134

IUPACN-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C17H15F4N3O2S/c1-2-24(15(17(19,20)21)11-3-5-12(18)6-4-11)27(25,26)14-8-10-23-16-13(14)7-9-22-16/h3-10,15H,2H2,1H3,(H,22,23)
InChIKeyLDUURHLHHYRYLJ-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.02
Rot. Bonds5

About N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide

N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide (PubChem CID 175581134) has the molecular formula C17H15F4N3O2S and a molecular weight of 401.39 g/mol. Its IUPAC name is N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide
PubChem CID175581134
Molecular FormulaC17H15F4N3O2S
Molecular Weight401.39 g/mol
Exact Mass401.08
IUPAC NameN-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide
SMILESCCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccnc2[nH]ccc12
InChIInChI=1S/C17H15F4N3O2S/c1-2-24(15(17(19,20)21)11-3-5-12(18)6-4-11)27(25,26)14-8-10-23-16-13(14)7-9-22-16/h3-10,15H,2H2,1H3,(H,22,23)
InChIKeyLDUURHLHHYRYLJ-UHFFFAOYSA-N
XLogP4.02
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide?
The IUPAC name of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide (CID 175581134) is N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide?
The canonical SMILES for N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide is CCN(C(c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccnc2[nH]ccc12.
What is the InChIKey of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide?
The InChIKey is LDUURHLHHYRYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2S/c1-2-24(15(17(19,20)21)11-3-5-12(18)6-4-11)27(25,26)14-8-10-23-16-13(14)7-9-22-16/h3-10,15H,2H2,1H3,(H,22,23).
What are the key properties of N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide?
N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide has a molecular weight of 401.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonamide is sourced from PubChem (CID 175581134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).