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

C13H17N3O4S — CID 107271404

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC1OCCC1(O)CNS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3O4S/c1-9-13(17,4-6-20-9)8-16-21(18,19)11-7-15-12-10(11)3-2-5-14-12/h2-3,5,7,9,16-17H,4,6,8H2,1H3,(H,14,15)
InChIKeyYFKTYWVQZBOQFY-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.38
Rot. Bonds4

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

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 107271404) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID107271404
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC1OCCC1(O)CNS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3O4S/c1-9-13(17,4-6-20-9)8-16-21(18,19)11-7-15-12-10(11)3-2-5-14-12/h2-3,5,7,9,16-17H,4,6,8H2,1H3,(H,14,15)
InChIKeyYFKTYWVQZBOQFY-UHFFFAOYSA-N
XLogP0.38
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115455381
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
3-amino-2,4-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099337
5-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106099334
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 107271501
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 106099841
2-chloro-5-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271388
2-cyano-3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271547
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 107271510
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099373

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 107271404) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CC1OCCC1(O)CNS(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is YFKTYWVQZBOQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-9-13(17,4-6-20-9)8-16-21(18,19)11-7-15-12-10(11)3-2-5-14-12/h2-3,5,7,9,16-17H,4,6,8H2,1H3,(H,14,15).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 107271404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).