1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine

C13H9BrN2O2S — CID 45074561

IUPAC1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Br)ccnc21
InChIInChI=1S/C13H9BrN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H
InChIKeyHSCQVANUQCLSJL-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.04
Rot. Bonds2

About 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine (PubChem CID 45074561) has the molecular formula C13H9BrN2O2S and a molecular weight of 337.20 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine
PubChem CID45074561
Molecular FormulaC13H9BrN2O2S
Molecular Weight337.20 g/mol
Exact Mass335.96
IUPAC Name1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Br)ccnc21
InChIInChI=1S/C13H9BrN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H
InChIKeyHSCQVANUQCLSJL-UHFFFAOYSA-N
XLogP3.04
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1-methylpyrazol-3-amine
CID 162761045
1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
CID 164886533
1-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]ethanone
CID 59744435
1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
CID 68762479
1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 177039469
tert-butyl N-[5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-bromothiophen-2-yl]carbamate
CID 73014121
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-5-nitrobenzaldehyde
CID 165404809
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
1-(benzenesulfonyl)-7-bromoindole
CID 46738223
ethyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 135319162
2-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]propan-2-amine
CID 68995217

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine (CID 45074561) is 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1ccc2c(Br)ccnc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine?
The InChIKey is HSCQVANUQCLSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine has a molecular weight of 337.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine is sourced from PubChem (CID 45074561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).