3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine

C13H10N2O2S — CID 22028181

IUPAC3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C13H10N2O2S/c16-18(17,10-5-2-1-3-6-10)12-9-15-13-11(12)7-4-8-14-13/h1-9H,(H,14,15)
InChIKeyXIVJYIWQYBHEBJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.40
Rot. Bonds2

About 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine

3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 22028181) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID22028181
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C13H10N2O2S/c16-18(17,10-5-2-1-3-6-10)12-9-15-13-11(12)7-4-8-14-13/h1-9H,(H,14,15)
InChIKeyXIVJYIWQYBHEBJ-UHFFFAOYSA-N
XLogP2.40
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Way-208466
CID 10337743
N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl}thiophene-2-Sulfonamide
CID 25118862
N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide
CID 59744451
N-(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 9950255
N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
N-[3-(benzenesulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868914
N-(2-Aminoethyl)-5-{1h-Pyrrolo[2,3-B]pyridin-3-Yl}thiophene-2-Sulfonamide
CID 71581422
4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697
1H-Pyrrolo[2,3-B]pyridine, 3-(phenylmethyl)-
CID 21028223
4-(Phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11481564
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162673339
4-(Benzylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine
CID 265826

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine (CID 22028181) is 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XIVJYIWQYBHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-18(17,10-5-2-1-3-6-10)12-9-15-13-11(12)7-4-8-14-13/h1-9H,(H,14,15).
What are the key properties of 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine?
3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 258.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22028181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).