N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide

C23H27N3O4S — CID 134132280

IUPACN-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide
SMILESCOc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H27N3O4S/c1-29-20-8-2-3-9-21(20)30-17-16-26-14-11-19(12-15-26)25-31(27,28)22-10-4-6-18-7-5-13-24-23(18)22/h2-10,13,19,25H,11-12,14-17H2,1H3
InChIKeyPITRVDNYLFADRD-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.07
Rot. Bonds8

About N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide

N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide (PubChem CID 134132280) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide
PubChem CID134132280
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide
SMILESCOc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H27N3O4S/c1-29-20-8-2-3-9-21(20)30-17-16-26-14-11-19(12-15-26)25-31(27,28)22-10-4-6-18-7-5-13-24-23(18)22/h2-10,13,19,25H,11-12,14-17H2,1H3
InChIKeyPITRVDNYLFADRD-UHFFFAOYSA-N
XLogP3.07
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121325256
N-[4-[2-[[(2S)-2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-3-quinolinesulfonamide
CID 44268268
Quinoline-3-sulfonic acid (4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-amide
CID 44307378
2,5-difluoro-N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52913870
2,5-difluoro-N-[3-fluoro-4-[6-methoxy-7-(4-morpholin-4-ylbutoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52914195
N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N-phenylquinoline-8-sulfonamide
CID 56926475
2,5-difluoro-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 58229387
4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 5298343
[(2R)-2,3-Dihydro-1,4-benzodioxin-2-yl]methyl-(quinolin-8-ylmethyl)azanium
CID 40135445
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
CID 2053792
N-(1,3-benzodioxol-5-ylmethyl)-8-quinolinesulfonamide
CID 2056026
3,4-dimethoxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 4915707

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide (CID 134132280) is N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide is COc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide?
The InChIKey is PITRVDNYLFADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-29-20-8-2-3-9-21(20)30-17-16-26-14-11-19(12-15-26)25-31(27,28)22-10-4-6-18-7-5-13-24-23(18)22/h2-10,13,19,25H,11-12,14-17H2,1H3.
What are the key properties of N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide?
N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 134132280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).