2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine

C15H15N3O2S — CID 10380133

IUPAC2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21
InChIInChI=1S/C15H15N3O2S/c16-8-10-18-11-14(13-7-4-9-17-15(13)18)21(19,20)12-5-2-1-3-6-12/h1-7,9,11H,8,10,16H2
InChIKeyCJMJDAAXKOQSCO-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.83
Rot. Bonds4

About 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine

2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine (PubChem CID 10380133) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine
PubChem CID10380133
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21
InChIInChI=1S/C15H15N3O2S/c16-8-10-18-11-14(13-7-4-9-17-15(13)18)21(19,20)12-5-2-1-3-6-12/h1-7,9,11H,8,10,16H2
InChIKeyCJMJDAAXKOQSCO-UHFFFAOYSA-N
XLogP1.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zolimidine
CID 14652
Way-208466
CID 10337743
Pyrrolopyrimidine 20
CID 23646632
N-(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 9950255
N,N-Dimethyl-N-{2-[3-(1-naphthylsulfonyl)-1Hpyrrolo[2,3-b]pyridin-1-yl]ethyl}amine
CID 10407367
N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
1-[4-(Benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 66611076
N-[3-(benzenesulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868914
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181
4-(Phenylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11481564
Pyrrolopyrimidine 23
CID 23646635
3-(5-Chlorothiophen-2-yl)sulfonyl-1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridine
CID 23625763

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine (CID 10380133) is 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine is NCCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The InChIKey is CJMJDAAXKOQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-8-10-18-11-14(13-7-4-9-17-15(13)18)21(19,20)12-5-2-1-3-6-12/h1-7,9,11H,8,10,16H2.
What are the key properties of 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine?
2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine has a molecular weight of 301.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]ethanamine is sourced from PubChem (CID 10380133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).