8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride

C15H20ClN3O2S — CID 119974304

IUPAC8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2CCCN2)c2cccnc12.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-11-6-7-14(13-5-3-9-17-15(11)13)21(19,20)18-10-12-4-2-8-16-12;/h3,5-7,9,12,16,18H,2,4,8,10H2,1H3;1H
InChIKeyAUELJDDCUKFNTE-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.00
Rot. Bonds4

About 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride

8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride (PubChem CID 119974304) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
PubChem CID119974304
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2CCCN2)c2cccnc12.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-11-6-7-14(13-5-3-9-17-15(11)13)21(19,20)18-10-12-4-2-8-16-12;/h3,5-7,9,12,16,18H,2,4,8,10H2,1H3;1H
InChIKeyAUELJDDCUKFNTE-UHFFFAOYSA-N
XLogP2.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride?
The IUPAC name of 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride (CID 119974304) is 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC2CCCN2)c2cccnc12.Cl.
What is the InChIKey of 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride?
The InChIKey is AUELJDDCUKFNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-11-6-7-14(13-5-3-9-17-15(11)13)21(19,20)18-10-12-4-2-8-16-12;/h3,5-7,9,12,16,18H,2,4,8,10H2,1H3;1H.
What are the key properties of 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride?
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119974304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).