3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline

C13H11N3O2S — CID 45269092

IUPAC3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)n2ccc3ncccc32)c1
InChIInChI=1S/C13H11N3O2S/c14-10-3-1-4-11(9-10)19(17,18)16-8-6-12-13(16)5-2-7-15-12/h1-9H,14H2
InChIKeyJNKXZHSULQPDEV-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.86
Rot. Bonds2

About 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline

3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline (PubChem CID 45269092) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline.

Molecular Properties

Compound Name3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline
PubChem CID45269092
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)n2ccc3ncccc32)c1
InChIInChI=1S/C13H11N3O2S/c14-10-3-1-4-11(9-10)19(17,18)16-8-6-12-13(16)5-2-7-15-12/h1-9H,14H2
InChIKeyJNKXZHSULQPDEV-UHFFFAOYSA-N
XLogP1.86
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

VU0255035
CID 24768606
N-3-Pyridylbenzenesulfonamide
CID 339079
{2-[1-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridin-3-yl]ethyl}dimethylamine, 15
CID 71463516
n1-(4-Aminobenzenesulfonyl)-5-azaskatole
CID 71463517
1-(Phenylsulfonyl)-4-azaindole
CID 45270766
N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 659653
2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylethanamine
CID 22028187
N,N-dimethyl-2-(3-(phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanamine
CID 22028199
3-(Phenylsulfonyl)-7-(1-piperazinyl)-1h-pyrrolo[3,2-b]pyridine
CID 44403277
N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3235697
N-(3-oxo-3-(4-(pyridin-4-yl)piperazin-1-yl)propyl)benzo[c][1,2,5]thiadiazole-5-sulfonamide
CID 42601144
1-(3-nitrophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
CID 45267342

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline?
The IUPAC name of 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline (CID 45269092) is 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline.
What is the SMILES notation for 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline?
The canonical SMILES for 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline is Nc1cccc(S(=O)(=O)n2ccc3ncccc32)c1.
What is the InChIKey of 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline?
The InChIKey is JNKXZHSULQPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c14-10-3-1-4-11(9-10)19(17,18)16-8-6-12-13(16)5-2-7-15-12/h1-9H,14H2.
What are the key properties of 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline?
3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline has a molecular weight of 273.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[3,2-b]pyridin-1-ylsulfonylaniline is sourced from PubChem (CID 45269092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).