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

C10H13N3O3S — CID 61170221

IUPACN-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C10H13N3O3S/c1-13(5-6-14)17(15,16)9-7-12-10-8(9)3-2-4-11-10/h2-4,7,14H,5-6H2,1H3,(H,11,12)
InChIKeyPZRHTCGJDCPIKP-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.18
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 61170221) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID61170221
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C10H13N3O3S/c1-13(5-6-14)17(15,16)9-7-12-10-8(9)3-2-4-11-10/h2-4,7,14H,5-6H2,1H3,(H,11,12)
InChIKeyPZRHTCGJDCPIKP-UHFFFAOYSA-N
XLogP0.18
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115317706
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 56790971
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 119967438
N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 66184781
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 128975358
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
N-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 166229392
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115455381

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 61170221) is N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CN(CCO)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is PZRHTCGJDCPIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-13(5-6-14)17(15,16)9-7-12-10-8(9)3-2-4-11-10/h2-4,7,14H,5-6H2,1H3,(H,11,12).
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 61170221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).