5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide

C15H12BrN3O3S — CID 155815886

IUPAC5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2ccc3cc(Br)cnc32)cc1
InChIInChI=1S/C15H12BrN3O3S/c1-10-2-4-13(5-3-10)23(21,22)18-15(20)19-7-6-11-8-12(16)9-17-14(11)19/h2-9H,1H3,(H,18,20)
InChIKeyYLXIFVJWZUOZKK-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.05
Rot. Bonds2

About 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide

5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 155815886) has the molecular formula C15H12BrN3O3S and a molecular weight of 394.25 g/mol. Its IUPAC name is 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID155815886
Molecular FormulaC15H12BrN3O3S
Molecular Weight394.25 g/mol
Exact Mass392.98
IUPAC Name5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2ccc3cc(Br)cnc32)cc1
InChIInChI=1S/C15H12BrN3O3S/c1-10-2-4-13(5-3-10)23(21,22)18-15(20)19-7-6-11-8-12(16)9-17-14(11)19/h2-9H,1H3,(H,18,20)
InChIKeyYLXIFVJWZUOZKK-UHFFFAOYSA-N
XLogP3.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 44527045
1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 852078
(E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide
CID 90676510
N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
CID 155806721
N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 155806724
4-methyl-N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156017097
3-bromo-N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156020786
4-bromo-N-[3-[(4-pyrrolo[2,3-b]pyridin-1-ylpyrimidin-2-yl)amino]propyl]benzenesulfonamide
CID 156022158
1-(Toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 1479966
1-[(4-fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
CID 2767865
1-(2,4,6-Trimethyl-Benzenesulfonyl)-1H-Pyrrolo[2,3-B]Pyridine
CID 71562311
3-bromo-5-fluoro-1-tosyl-1H-pyrrolo(2,3-b)pyridine
CID 71251330

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide (CID 155815886) is 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)n2ccc3cc(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is YLXIFVJWZUOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S/c1-10-2-4-13(5-3-10)23(21,22)18-15(20)19-7-6-11-8-12(16)9-17-14(11)19/h2-9H,1H3,(H,18,20).
What are the key properties of 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 394.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 155815886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).