N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C12H16N4O3S — CID 166350507

IUPACN,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1c[nH]c2ncc(C(=O)N(C)CCS(N)(=O)=O)cc12
InChIInChI=1S/C12H16N4O3S/c1-8-6-14-11-10(8)5-9(7-15-11)12(17)16(2)3-4-20(13,18)19/h5-7H,3-4H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyQJWIJSLKIARUBX-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.23
Rot. Bonds4

About N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 166350507) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID166350507
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1c[nH]c2ncc(C(=O)N(C)CCS(N)(=O)=O)cc12
InChIInChI=1S/C12H16N4O3S/c1-8-6-14-11-10(8)5-9(7-15-11)12(17)16(2)3-4-20(13,18)19/h5-7H,3-4H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyQJWIJSLKIARUBX-UHFFFAOYSA-N
XLogP0.23
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 166350507) is N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1c[nH]c2ncc(C(=O)N(C)CCS(N)(=O)=O)cc12.
What is the InChIKey of N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is QJWIJSLKIARUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-6-14-11-10(8)5-9(7-15-11)12(17)16(2)3-4-20(13,18)19/h5-7H,3-4H2,1-2H3,(H,14,15)(H2,13,18,19).
What are the key properties of N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-sulfamoylethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 166350507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).