4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

C13H11N3O2S — CID 23648921

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C13H11N3O2S/c14-19(17,18)10-3-1-9(2-4-10)11-5-7-15-13-12(11)6-8-16-13/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyLZOJZUJTDLMDSH-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.88
Rot. Bonds2

About 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide

4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 23648921) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
PubChem CID23648921
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C13H11N3O2S/c14-19(17,18)10-3-1-9(2-4-10)11-5-7-15-13-12(11)6-8-16-13/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyLZOJZUJTDLMDSH-UHFFFAOYSA-N
XLogP1.88
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Rolodine
CID 5359646
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-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
3,5-diphenyl-1H-pyrrolo[2,3-b]pyridine
CID 57597953
N-methyl-3-[[6-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 67995956
N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 67996291
N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109
N-methyl-3-[[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 70649110
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
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

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide (CID 23648921) is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is LZOJZUJTDLMDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-19(17,18)10-3-1-9(2-4-10)11-5-7-15-13-12(11)6-8-16-13/h1-8H,(H,15,16)(H2,14,17,18).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide?
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 273.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 23648921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).