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

C15H14BrN3O2S — CID 53144800

IUPAC2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ncccc12)c1ccccc1Br
InChIInChI=1S/C15H14BrN3O2S/c16-13-5-1-2-6-14(13)22(20,21)19-9-7-11-10-18-15-12(11)4-3-8-17-15/h1-6,8,10,19H,7,9H2,(H,17,18)
InChIKeyJRPFKHZQEBGNRW-UHFFFAOYSA-N
MW380.27 g/mol
LogP2.85
Rot. Bonds5

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

2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (PubChem CID 53144800) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
PubChem CID53144800
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC Name2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ncccc12)c1ccccc1Br
InChIInChI=1S/C15H14BrN3O2S/c16-13-5-1-2-6-14(13)22(20,21)19-9-7-11-10-18-15-12(11)4-3-8-17-15/h1-6,8,10,19H,7,9H2,(H,17,18)
InChIKeyJRPFKHZQEBGNRW-UHFFFAOYSA-N
XLogP2.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144795
3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144820
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
N-[3-(methylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119964781
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414
3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
CID 59362853

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide (CID 53144800) is 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ncccc12)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is JRPFKHZQEBGNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c16-13-5-1-2-6-14(13)22(20,21)19-9-7-11-10-18-15-12(11)4-3-8-17-15/h1-6,8,10,19H,7,9H2,(H,17,18).
What are the key properties of 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 380.27 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53144800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).