N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide

C16H19N3O2S — CID 113016723

IUPACN-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C16H19N3O2S/c1-2-22(20,21)18-14-9-10-16(17-12-14)19-11-5-7-13-6-3-4-8-15(13)19/h3-4,6,8-10,12,18H,2,5,7,11H2,1H3
InChIKeyIFZCUTLMNUXJEN-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.93
Rot. Bonds4

About N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide

N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 113016723) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID113016723
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C16H19N3O2S/c1-2-22(20,21)18-14-9-10-16(17-12-14)19-11-5-7-13-6-3-4-8-15(13)19/h3-4,6,8-10,12,18H,2,5,7,11H2,1H3
InChIKeyIFZCUTLMNUXJEN-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide
CID 112986280
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]hydrazine
CID 82055128
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113016628
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-2,3-dihydroindole
CID 113016627
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113016633
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62280507
1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
CID 113016721
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113016641
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113016670

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide (CID 113016723) is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N2CCCc3ccccc32)nc1.
What is the InChIKey of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is IFZCUTLMNUXJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-22(20,21)18-14-9-10-16(17-12-14)19-11-5-7-13-6-3-4-8-15(13)19/h3-4,6,8-10,12,18H,2,5,7,11H2,1H3.
What are the key properties of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide?
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113016723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).