N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C24H27N3O5S — CID 90419082

IUPACN-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCCOCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C24H27N3O5S/c1-2-32-17-24(29)12-15-27(16-13-24)23(28)19-8-10-20(11-9-19)26-33(30,31)21-7-3-5-18-6-4-14-25-22(18)21/h3-11,14,26,29H,2,12-13,15-17H2,1H3
InChIKeyRIUPVJDZMJNRNF-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.04
Rot. Bonds7

About N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 90419082) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID90419082
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCCOCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C24H27N3O5S/c1-2-32-17-24(29)12-15-27(16-13-24)23(28)19-8-10-20(11-9-19)26-33(30,31)21-7-3-5-18-6-4-14-25-22(18)21/h3-11,14,26,29H,2,12-13,15-17H2,1H3
InChIKeyRIUPVJDZMJNRNF-UHFFFAOYSA-N
XLogP3.04
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 90419082) is N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CCOCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is RIUPVJDZMJNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-2-32-17-24(29)12-15-27(16-13-24)23(28)19-8-10-20(11-9-19)26-33(30,31)21-7-3-5-18-6-4-14-25-22(18)21/h3-11,14,26,29H,2,12-13,15-17H2,1H3.
What are the key properties of N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 469.56 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethoxymethyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90419082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).