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

C17H15N3O2S — CID 174836474

IUPAC6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2cc[nH]c21.c1ccncc1
InChIInChI=1S/C12H10N2O2S.C5H5N/c15-17(16,11-4-2-1-3-5-11)14-9-7-10-6-8-13-12(10)14;1-2-4-6-5-3-1/h1-9,13H;1-5H
InChIKeyHECCPTAUCFMLAV-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.29
Rot. Bonds2

About 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine

6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine (PubChem CID 174836474) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine
PubChem CID174836474
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2cc[nH]c21.c1ccncc1
InChIInChI=1S/C12H10N2O2S.C5H5N/c15-17(16,11-4-2-1-3-5-11)14-9-7-10-6-8-13-12(10)14;1-2-4-6-5-3-1/h1-9,13H;1-5H
InChIKeyHECCPTAUCFMLAV-UHFFFAOYSA-N
XLogP3.29
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
CID 164886533
1-(benzenesulfonyl)-7-bromoindole
CID 46738223
1-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-b]pyridin-4-one
CID 151544387
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)indole;5-(4-methylpiperazin-1-yl)-1H-indole
CID 158353083
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 150655261
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
CID 18176436
1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine
CID 11163900
3-(benzenesulfonyl)imidazol-4-ol
CID 57236150
1-(benzenesulfonyl)-6-chloropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 155342158
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine?
The IUPAC name of 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine (CID 174836474) is 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine.
What is the SMILES notation for 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine?
The canonical SMILES for 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine is O=S(=O)(c1ccccc1)n1ccc2cc[nH]c21.c1ccncc1.
What is the InChIKey of 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine?
The InChIKey is HECCPTAUCFMLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S.C5H5N/c15-17(16,11-4-2-1-3-5-11)14-9-7-10-6-8-13-12(10)14;1-2-4-6-5-3-1/h1-9,13H;1-5H.
What are the key properties of 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine?
6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine has a molecular weight of 325.39 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyrrole;pyridine is sourced from PubChem (CID 174836474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).