N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide

C13H11N3O2S — CID 170397854

IUPACN-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cc[nH]c2n1)c1ccccc1
InChIInChI=1S/C13H11N3O2S/c17-19(18,11-4-2-1-3-5-11)16-12-7-6-10-8-9-14-13(10)15-12/h1-9H,(H2,14,15,16)
InChIKeySIUSLFOXTDXLPY-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.36
Rot. Bonds3

About N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide

N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide (PubChem CID 170397854) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide
PubChem CID170397854
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cc[nH]c2n1)c1ccccc1
InChIInChI=1S/C13H11N3O2S/c17-19(18,11-4-2-1-3-5-11)16-12-7-6-10-8-9-14-13(10)15-12/h1-9H,(H2,14,15,16)
InChIKeySIUSLFOXTDXLPY-UHFFFAOYSA-N
XLogP2.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide (CID 170397854) is N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2cc[nH]c2n1)c1ccccc1.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide?
The InChIKey is SIUSLFOXTDXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c17-19(18,11-4-2-1-3-5-11)16-12-7-6-10-8-9-14-13(10)15-12/h1-9H,(H2,14,15,16).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide?
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-6-yl)benzenesulfonamide is sourced from PubChem (CID 170397854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).