3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide

C25H27ClN2O5S — CID 23122463

IUPAC3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3c(cc2NS(=O)(=O)c2cccc(Cl)c2C)CCCC3)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-16-19(26)8-6-10-24(16)34(29,30)28-21-14-18-7-4-5-9-20(18)27-25(21)33-15-17-11-12-22(31-2)23(13-17)32-3/h6,8,10-14,28H,4-5,7,9,15H2,1-3H3
InChIKeyYOOQMZVHOSEUTN-UHFFFAOYSA-N
MW503.02 g/mol
LogP5.32
Rot. Bonds8

About 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide

3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 23122463) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide
PubChem CID23122463
Molecular FormulaC25H27ClN2O5S
Molecular Weight503.02 g/mol
Exact Mass502.13
IUPAC Name3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3c(cc2NS(=O)(=O)c2cccc(Cl)c2C)CCCC3)cc1OC
InChIInChI=1S/C25H27ClN2O5S/c1-16-19(26)8-6-10-24(16)34(29,30)28-21-14-18-7-4-5-9-20(18)27-25(21)33-15-17-11-12-22(31-2)23(13-17)32-3/h6,8,10-14,28H,4-5,7,9,15H2,1-3H3
InChIKeyYOOQMZVHOSEUTN-UHFFFAOYSA-N
XLogP5.32
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.02
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide (CID 23122463) is 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide is COc1ccc(COc2nc3c(cc2NS(=O)(=O)c2cccc(Cl)c2C)CCCC3)cc1OC.
What is the InChIKey of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is YOOQMZVHOSEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-16-19(26)8-6-10-24(16)34(29,30)28-21-14-18-7-4-5-9-20(18)27-25(21)33-15-17-11-12-22(31-2)23(13-17)32-3/h6,8,10-14,28H,4-5,7,9,15H2,1-3H3.
What are the key properties of 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 503.02 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3,4-dimethoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinolin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).