N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C15H15N3O4S — CID 53173968

IUPACN-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c[nH]c3ncccc23)cc(OC)c1
InChIInChI=1S/C15H15N3O4S/c1-21-11-6-10(7-12(8-11)22-2)18-23(19,20)14-9-17-15-13(14)4-3-5-16-15/h3-9,18H,1-2H3,(H,16,17)
InChIKeyAWUHYZHWOZALJX-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.38
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53173968) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53173968
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c[nH]c3ncccc23)cc(OC)c1
InChIInChI=1S/C15H15N3O4S/c1-21-11-6-10(7-12(8-11)22-2)18-23(19,20)14-9-17-15-13(14)4-3-5-16-15/h3-9,18H,1-2H3,(H,16,17)
InChIKeyAWUHYZHWOZALJX-UHFFFAOYSA-N
XLogP2.38
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53173968) is N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is COc1cc(NS(=O)(=O)c2c[nH]c3ncccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is AWUHYZHWOZALJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-21-11-6-10(7-12(8-11)22-2)18-23(19,20)14-9-17-15-13(14)4-3-5-16-15/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53173968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).