N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C19H13F2N5O3S — CID 59418513

IUPACN-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1c(F)ccc(NS(=O)(=O)c2ccccn2)c1F)c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H13F2N5O3S/c20-13-4-5-14(26-30(28,29)15-3-1-2-7-22-15)16(21)17(13)25-19(27)12-9-11-6-8-23-18(11)24-10-12/h1-10,26H,(H,23,24)(H,25,27)
InChIKeyMCCMXSVCXXNURW-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.29
Rot. Bonds5

About N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 59418513) has the molecular formula C19H13F2N5O3S and a molecular weight of 429.41 g/mol. Its IUPAC name is N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID59418513
Molecular FormulaC19H13F2N5O3S
Molecular Weight429.41 g/mol
Exact Mass429.07
IUPAC NameN-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1c(F)ccc(NS(=O)(=O)c2ccccn2)c1F)c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H13F2N5O3S/c20-13-4-5-14(26-30(28,29)15-3-1-2-7-22-15)16(21)17(13)25-19(27)12-9-11-6-8-23-18(11)24-10-12/h1-10,26H,(H,23,24)(H,25,27)
InChIKeyMCCMXSVCXXNURW-UHFFFAOYSA-N
XLogP3.29
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 59418513) is N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(Nc1c(F)ccc(NS(=O)(=O)c2ccccn2)c1F)c1cnc2[nH]ccc2c1.
What is the InChIKey of N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is MCCMXSVCXXNURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O3S/c20-13-4-5-14(26-30(28,29)15-3-1-2-7-22-15)16(21)17(13)25-19(27)12-9-11-6-8-23-18(11)24-10-12/h1-10,26H,(H,23,24)(H,25,27).
What are the key properties of N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 59418513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).