N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C19H15N3O3S — CID 60560681

IUPACN-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Oc1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C19H15N3O3S/c23-26(24,18-13-21-19-15(18)9-6-12-20-19)22-16-10-4-5-11-17(16)25-14-7-2-1-3-8-14/h1-13,22H,(H,20,21)
InChIKeyJVFNUISPFZECHT-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.16
Rot. Bonds5

About N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 60560681) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID60560681
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Oc1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C19H15N3O3S/c23-26(24,18-13-21-19-15(18)9-6-12-20-19)22-16-10-4-5-11-17(16)25-14-7-2-1-3-8-14/h1-13,22H,(H,20,21)
InChIKeyJVFNUISPFZECHT-UHFFFAOYSA-N
XLogP4.16
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61168850
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 116798817
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211
2-(4-fluorophenoxy)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)propanoic acid
CID 167928831
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
(2S)-3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)pentanoic acid
CID 61169045

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 60560681) is N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is O=S(=O)(Nc1ccccc1Oc1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is JVFNUISPFZECHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-26(24,18-13-21-19-15(18)9-6-12-20-19)22-16-10-4-5-11-17(16)25-14-7-2-1-3-8-14/h1-13,22H,(H,20,21).
What are the key properties of N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 365.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 60560681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).