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

C20H17Cl2NO4S — CID 146545958

IUPAC3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C20H17Cl2NO4S/c1-26-18-9-8-14(13-6-4-3-5-7-13)10-17(18)23-28(24,25)19-12-15(21)11-16(22)20(19)27-2/h3-12,23H,1-2H3
InChIKeySLLFAOXULZQMTG-UHFFFAOYSA-N
MW438.33 g/mol
LogP5.48
Rot. Bonds6

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

3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (PubChem CID 146545958) has the molecular formula C20H17Cl2NO4S and a molecular weight of 438.33 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
PubChem CID146545958
Molecular FormulaC20H17Cl2NO4S
Molecular Weight438.33 g/mol
Exact Mass437.03
IUPAC Name3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C20H17Cl2NO4S/c1-26-18-9-8-14(13-6-4-3-5-7-13)10-17(18)23-28(24,25)19-12-15(21)11-16(22)20(19)27-2/h3-12,23H,1-2H3
InChIKeySLLFAOXULZQMTG-UHFFFAOYSA-N
XLogP5.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (CID 146545958) is 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The InChIKey is SLLFAOXULZQMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4S/c1-26-18-9-8-14(13-6-4-3-5-7-13)10-17(18)23-28(24,25)19-12-15(21)11-16(22)20(19)27-2/h3-12,23H,1-2H3.
What are the key properties of 3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide has a molecular weight of 438.33 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 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)benzenesulfonamide is sourced from PubChem (CID 146545958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).