N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide

C18H18N4O2S — CID 119049752

IUPACN-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccn2)C1)c1cnc2ccccc2c1
InChIInChI=1S/C18H18N4O2S/c23-25(24,16-11-14-5-1-2-6-17(14)20-12-16)21-15-8-10-22(13-15)18-7-3-4-9-19-18/h1-7,9,11-12,15,21H,8,10,13H2
InChIKeySUNAQQINZDUOPL-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.19
Rot. Bonds4

About N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide

N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide (PubChem CID 119049752) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
PubChem CID119049752
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccn2)C1)c1cnc2ccccc2c1
InChIInChI=1S/C18H18N4O2S/c23-25(24,16-11-14-5-1-2-6-17(14)20-12-16)21-15-8-10-22(13-15)18-7-3-4-9-19-18/h1-7,9,11-12,15,21H,8,10,13H2
InChIKeySUNAQQINZDUOPL-UHFFFAOYSA-N
XLogP2.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-3-sulfonamide
CID 124603595
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
4-(3-chlorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99875676
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99875681
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 121145097

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide?
The IUPAC name of N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide (CID 119049752) is N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide.
What is the SMILES notation for N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide?
The canonical SMILES for N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide is O=S(=O)(NC1CCN(c2ccccn2)C1)c1cnc2ccccc2c1.
What is the InChIKey of N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide?
The InChIKey is SUNAQQINZDUOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-25(24,16-11-14-5-1-2-6-17(14)20-12-16)21-15-8-10-22(13-15)18-7-3-4-9-19-18/h1-7,9,11-12,15,21H,8,10,13H2.
What are the key properties of N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide?
N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide has a molecular weight of 354.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpyrrolidin-3-yl)quinoline-3-sulfonamide is sourced from PubChem (CID 119049752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).