N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide

C23H27N3O4S — CID 25037624

IUPACN-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(OCCO)cc2)CC1)c1cccc2cccnc12
InChIInChI=1S/C23H27N3O4S/c27-15-16-30-21-8-6-18(7-9-21)17-26-13-10-20(11-14-26)25-31(28,29)22-5-1-3-19-4-2-12-24-23(19)22/h1-9,12,20,25,27H,10-11,13-17H2
InChIKeyNZPLQPVWTPFZHX-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.55
Rot. Bonds8

About N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide

N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide (PubChem CID 25037624) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide
PubChem CID25037624
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(OCCO)cc2)CC1)c1cccc2cccnc12
InChIInChI=1S/C23H27N3O4S/c27-15-16-30-21-8-6-18(7-9-21)17-26-13-10-20(11-14-26)25-31(28,29)22-5-1-3-19-4-2-12-24-23(19)22/h1-9,12,20,25,27H,10-11,13-17H2
InChIKeyNZPLQPVWTPFZHX-UHFFFAOYSA-N
XLogP2.55
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-5-methyl-N-(quinolin-3-yl)benzenesulfonamide
CID 24178213
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
4-[[6-(4-Carbamimidoylphenoxy)-5-(quinolin-8-ylsulfonylamino)-2-pyridinyl]oxy]benzenecarboximidamide
CID 49820501
N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N-phenylquinoline-8-sulfonamide
CID 56926475
N-(2-hydroxyethyl)-3-[8-[4-(trifluoromethoxy)phenyl]-1,5-naphthyridin-2-yl]benzenesulfonamide
CID 145960666
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
CID 2053792
N-(4-Methoxyphenyl)-1-(quinolin-8-ylsulfonyl)piperidine-4-carboxamide
CID 5308966
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(quinoline-8-sulfonyl)piperidine-4-carboxamide
CID 16001252
8-{[4-(3-Methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 16194073
[4-(4-Methoxybenzyl)-1-(8-quinolinylsulfonyl)-4-piperidinyl]methanol
CID 23723872
N-{[1-(2-hydroxybenzyl)-3-piperidinyl]methyl}-8-quinolinesulfonamide
CID 24790222

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide (CID 25037624) is N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide is O=S(=O)(NC1CCN(Cc2ccc(OCCO)cc2)CC1)c1cccc2cccnc12.
What is the InChIKey of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide?
The InChIKey is NZPLQPVWTPFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c27-15-16-30-21-8-6-18(7-9-21)17-26-13-10-20(11-14-26)25-31(28,29)22-5-1-3-19-4-2-12-24-23(19)22/h1-9,12,20,25,27H,10-11,13-17H2.
What are the key properties of N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide?
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide has a molecular weight of 441.55 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 25037624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).