3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide

C21H19Cl2NO4S — CID 146545889

IUPAC3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C21H19Cl2NO4S/c1-24(29(25,26)20-13-16(22)12-17(23)21(20)28-3)18-11-15(9-10-19(18)27-2)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyMAWKBYCJALXKAA-UHFFFAOYSA-N
MW452.36 g/mol
LogP5.50
Rot. Bonds6

About 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide

3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide (PubChem CID 146545889) has the molecular formula C21H19Cl2NO4S and a molecular weight of 452.36 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide
PubChem CID146545889
Molecular FormulaC21H19Cl2NO4S
Molecular Weight452.36 g/mol
Exact Mass451.04
IUPAC Name3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C21H19Cl2NO4S/c1-24(29(25,26)20-13-16(22)12-17(23)21(20)28-3)18-11-15(9-10-19(18)27-2)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyMAWKBYCJALXKAA-UHFFFAOYSA-N
XLogP5.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.36
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
CID 100507646
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
CID 135064174
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide
CID 146545797
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544
N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
CID 2245086
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
3-bromo-5-chloro-2-methoxy-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541366
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide (CID 146545889) is 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide is COc1ccc(-c2ccccc2)cc1N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide?
The InChIKey is MAWKBYCJALXKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO4S/c1-24(29(25,26)20-13-16(22)12-17(23)21(20)28-3)18-11-15(9-10-19(18)27-2)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide?
3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide has a molecular weight of 452.36 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 146545889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).