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

C11H15N3O3S — CID 61170220

IUPACN-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H15N3O3S/c1-2-14(6-7-15)18(16,17)10-8-13-11-9(10)4-3-5-12-11/h3-5,8,15H,2,6-7H2,1H3,(H,12,13)
InChIKeyBDRNQVGBLQVAFA-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.57
Rot. Bonds5

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

N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 61170220) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID61170220
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C11H15N3O3S/c1-2-14(6-7-15)18(16,17)10-8-13-11-9(10)4-3-5-12-11/h3-5,8,15H,2,6-7H2,1H3,(H,12,13)
InChIKeyBDRNQVGBLQVAFA-UHFFFAOYSA-N
XLogP0.57
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
N-ethyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]methanesulfonamide
CID 66416628
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115317706
N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 66184781
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
5-amino-N-butyl-N-ethylquinoline-8-sulfonamide
CID 104850310
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-ethyl-N-(2-thiophen-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonamide
CID 146149465
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 56790971
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)pentanoic acid
CID 104934882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 61170220) is N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CCN(CCO)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is BDRNQVGBLQVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-14(6-7-15)18(16,17)10-8-13-11-9(10)4-3-5-12-11/h3-5,8,15H,2,6-7H2,1H3,(H,12,13).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 61170220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).