4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide

C22H15Cl3N2O3S — CID 70250383

IUPAC4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O3S/c1-13-8-15(23)6-7-21(13)31(28,29)27-16-10-18(24)22(19(25)11-16)30-17-9-14-4-2-3-5-20(14)26-12-17/h2-12,27H,1H3
InChIKeyUVZNSDMCFKJOHU-UHFFFAOYSA-N
MW493.80 g/mol
LogP7.10
Rot. Bonds5

About 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide

4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 70250383) has the molecular formula C22H15Cl3N2O3S and a molecular weight of 493.80 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide
PubChem CID70250383
Molecular FormulaC22H15Cl3N2O3S
Molecular Weight493.80 g/mol
Exact Mass491.99
IUPAC Name4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O3S/c1-13-8-15(23)6-7-21(13)31(28,29)27-16-10-18(24)22(19(25)11-16)30-17-9-14-4-2-3-5-20(14)26-12-17/h2-12,27H,1H3
InChIKeyUVZNSDMCFKJOHU-UHFFFAOYSA-N
XLogP7.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.80
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-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 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide (CID 70250383) is 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is UVZNSDMCFKJOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O3S/c1-13-8-15(23)6-7-21(13)31(28,29)27-16-10-18(24)22(19(25)11-16)30-17-9-14-4-2-3-5-20(14)26-12-17/h2-12,27H,1H3.
What are the key properties of 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide?
4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 493.80 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 70250383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).