3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride

C18H20ClN3O2S — CID 69202980

IUPAC3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1cn(C[C@H]2CCCN2)c2ncccc12
InChIInChI=1S/C18H19N3O2S.ClH/c22-24(23,15-7-2-1-3-8-15)17-13-21(12-14-6-4-10-19-14)18-16(17)9-5-11-20-18;/h1-3,5,7-9,11,13-14,19H,4,6,10,12H2;1H/t14-;/m1./s1
InChIKeyZXDNQGYZJTUECU-PFEQFJNWSA-N
MW377.90 g/mol
LogP3.04
Rot. Bonds4

About 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride

3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride (PubChem CID 69202980) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
PubChem CID69202980
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1cn(C[C@H]2CCCN2)c2ncccc12
InChIInChI=1S/C18H19N3O2S.ClH/c22-24(23,15-7-2-1-3-8-15)17-13-21(12-14-6-4-10-19-14)18-16(17)9-5-11-20-18;/h1-3,5,7-9,11,13-14,19H,4,6,10,12H2;1H/t14-;/m1./s1
InChIKeyZXDNQGYZJTUECU-PFEQFJNWSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride (CID 69202980) is 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride is Cl.O=S(=O)(c1ccccc1)c1cn(C[C@H]2CCCN2)c2ncccc12.
What is the InChIKey of 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride?
The InChIKey is ZXDNQGYZJTUECU-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H19N3O2S.ClH/c22-24(23,15-7-2-1-3-8-15)17-13-21(12-14-6-4-10-19-14)18-16(17)9-5-11-20-18;/h1-3,5,7-9,11,13-14,19H,4,6,10,12H2;1H/t14-;/m1./s1.
What are the key properties of 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride?
3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride has a molecular weight of 377.90 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride is sourced from PubChem (CID 69202980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).