N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide

C21H21NO5S — CID 122184519

IUPACN-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H21NO5S/c1-25-16-9-11-17(12-10-16)28(23,24)22-19-7-5-4-6-18(19)15-8-13-20(26-2)21(14-15)27-3/h4-14,22H,1-3H3
InChIKeyUEWLVQVVVZIFCS-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 122184519) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID122184519
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H21NO5S/c1-25-16-9-11-17(12-10-16)28(23,24)22-19-7-5-4-6-18(19)15-8-13-20(26-2)21(14-15)27-3/h4-14,22H,1-3H3
InChIKeyUEWLVQVVVZIFCS-UHFFFAOYSA-N
XLogP4.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide (CID 122184519) is N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is UEWLVQVVVZIFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-25-16-9-11-17(12-10-16)28(23,24)22-19-7-5-4-6-18(19)15-8-13-20(26-2)21(14-15)27-3/h4-14,22H,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122184519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).