N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide

C15H17NO5S — CID 743369

IUPACN-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C15H17NO5S/c1-19-11-4-7-13(8-5-11)22(17,18)16-14-9-6-12(20-2)10-15(14)21-3/h4-10,16H,1-3H3
InChIKeyRQIWOWPNHORSLY-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.51
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide

N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 743369) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID743369
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C15H17NO5S/c1-19-11-4-7-13(8-5-11)22(17,18)16-14-9-6-12(20-2)10-15(14)21-3/h4-10,16H,1-3H3
InChIKeyRQIWOWPNHORSLY-UHFFFAOYSA-N
XLogP2.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide (CID 743369) is N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is RQIWOWPNHORSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-19-11-4-7-13(8-5-11)22(17,18)16-14-9-6-12(20-2)10-15(14)21-3/h4-10,16H,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide?
N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 323.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 743369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).