N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C12H15N3O3S — CID 135063355

IUPACN,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c[nH]c2nccc(C=O)c12
InChIInChI=1S/C12H15N3O3S/c1-3-15(4-2)19(17,18)10-7-14-12-11(10)9(8-16)5-6-13-12/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyOXDWCDLCUSGFEO-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.41
Rot. Bonds5

About N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 135063355) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID135063355
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c[nH]c2nccc(C=O)c12
InChIInChI=1S/C12H15N3O3S/c1-3-15(4-2)19(17,18)10-7-14-12-11(10)9(8-16)5-6-13-12/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyOXDWCDLCUSGFEO-UHFFFAOYSA-N
XLogP1.41
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 135063355) is N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1c[nH]c2nccc(C=O)c12.
What is the InChIKey of N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is OXDWCDLCUSGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-15(4-2)19(17,18)10-7-14-12-11(10)9(8-16)5-6-13-12/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-formyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 135063355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).