3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide

C24H21ClN2O4S — CID 68875925

IUPAC3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)NCCO)c2)c1
InChIInChI=1S/C24H21ClN2O4S/c1-16-15-26-24-21(9-4-10-22(24)25)23(16)17-5-2-6-18(13-17)31-19-7-3-8-20(14-19)32(29,30)27-11-12-28/h2-10,13-15,27-28H,11-12H2,1H3
InChIKeyCMLOWIGUILOQMV-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.93
Rot. Bonds7

About 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide

3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 68875925) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID68875925
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)NCCO)c2)c1
InChIInChI=1S/C24H21ClN2O4S/c1-16-15-26-24-21(9-4-10-22(24)25)23(16)17-5-2-6-18(13-17)31-19-7-3-8-20(14-19)32(29,30)27-11-12-28/h2-10,13-15,27-28H,11-12H2,1H3
InChIKeyCMLOWIGUILOQMV-UHFFFAOYSA-N
XLogP4.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide (CID 68875925) is 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide is Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(S(=O)(=O)NCCO)c2)c1.
What is the InChIKey of 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CMLOWIGUILOQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-16-15-26-24-21(9-4-10-22(24)25)23(16)17-5-2-6-18(13-17)31-19-7-3-8-20(14-19)32(29,30)27-11-12-28/h2-10,13-15,27-28H,11-12H2,1H3.
What are the key properties of 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide?
3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 468.96 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 68875925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).