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

C15H15N3O2S — CID 53144795

IUPACN-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ncccc12)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-21(20,13-5-2-1-3-6-13)18-10-8-12-11-17-15-14(12)7-4-9-16-15/h1-7,9,11,18H,8,10H2,(H,16,17)
InChIKeyAWMZHHRWUSWUJL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.08
Rot. Bonds5

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

N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 53144795) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID53144795
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ncccc12)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-21(20,13-5-2-1-3-6-13)18-10-8-12-11-17-15-14(12)7-4-9-16-15/h1-7,9,11,18H,8,10H2,(H,16,17)
InChIKeyAWMZHHRWUSWUJL-UHFFFAOYSA-N
XLogP2.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144820
2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144800
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763
4-(3-aminophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzenesulfonamide
CID 58086906
4-[2-(1H-indol-3-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 58615628
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 166427820
3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
CID 59362853

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 53144795) is N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ncccc12)c1ccccc1.
What is the InChIKey of N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is AWMZHHRWUSWUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-21(20,13-5-2-1-3-6-13)18-10-8-12-11-17-15-14(12)7-4-9-16-15/h1-7,9,11,18H,8,10H2,(H,16,17).
What are the key properties of N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53144795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).