5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C12H12BrN5O3S — CID 154763654

IUPAC5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCc1nnc(CNS(=O)(=O)c2c[nH]c3ncc(Br)cc23)o1
InChIInChI=1S/C12H12BrN5O3S/c1-2-10-17-18-11(21-10)6-16-22(19,20)9-5-15-12-8(9)3-7(13)4-14-12/h3-5,16H,2,6H2,1H3,(H,14,15)
InChIKeyXMVFTSVOYKJFER-UHFFFAOYSA-N
MW386.23 g/mol
LogP1.75
Rot. Bonds5

About 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 154763654) has the molecular formula C12H12BrN5O3S and a molecular weight of 386.23 g/mol. Its IUPAC name is 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID154763654
Molecular FormulaC12H12BrN5O3S
Molecular Weight386.23 g/mol
Exact Mass384.98
IUPAC Name5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCc1nnc(CNS(=O)(=O)c2c[nH]c3ncc(Br)cc23)o1
InChIInChI=1S/C12H12BrN5O3S/c1-2-10-17-18-11(21-10)6-16-22(19,20)9-5-15-12-8(9)3-7(13)4-14-12/h3-5,16H,2,6H2,1H3,(H,14,15)
InChIKeyXMVFTSVOYKJFER-UHFFFAOYSA-N
XLogP1.75
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(pyrimidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 166317097
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106543915
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 167028485
5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 137332715
2-[[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)sulfonylamino]methyl]benzoic acid
CID 167781465
5-(aminomethyl)-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377999

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 154763654) is 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CCc1nnc(CNS(=O)(=O)c2c[nH]c3ncc(Br)cc23)o1.
What is the InChIKey of 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is XMVFTSVOYKJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O3S/c1-2-10-17-18-11(21-10)6-16-22(19,20)9-5-15-12-8(9)3-7(13)4-14-12/h3-5,16H,2,6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 386.23 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 154763654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).