4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide

C25H23ClN2O3S — CID 68879368

IUPAC4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)cc1
InChIInChI=1S/C25H23ClN2O3S/c1-3-14-28-32(29,30)21-12-10-19(11-13-21)31-20-7-4-6-18(15-20)24-17(2)16-27-25-22(24)8-5-9-23(25)26/h4-13,15-16,28H,3,14H2,1-2H3
InChIKeyFUBNGRWSMBPIQB-UHFFFAOYSA-N
MW466.99 g/mol
LogP6.34
Rot. Bonds7

About 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide

4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide (PubChem CID 68879368) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide
PubChem CID68879368
Molecular FormulaC25H23ClN2O3S
Molecular Weight466.99 g/mol
Exact Mass466.11
IUPAC Name4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)cc1
InChIInChI=1S/C25H23ClN2O3S/c1-3-14-28-32(29,30)21-12-10-19(11-13-21)31-20-7-4-6-18(15-20)24-17(2)16-27-25-22(24)8-5-9-23(25)26/h4-13,15-16,28H,3,14H2,1-2H3
InChIKeyFUBNGRWSMBPIQB-UHFFFAOYSA-N
XLogP6.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide (CID 68879368) is 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc34)c2)cc1.
What is the InChIKey of 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide?
The InChIKey is FUBNGRWSMBPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-3-14-28-32(29,30)21-12-10-19(11-13-21)31-20-7-4-6-18(15-20)24-17(2)16-27-25-22(24)8-5-9-23(25)26/h4-13,15-16,28H,3,14H2,1-2H3.
What are the key properties of 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide?
4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide has a molecular weight of 466.99 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]-N-propylbenzenesulfonamide is sourced from PubChem (CID 68879368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).