4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C15H17NO4S — CID 741350

IUPAC4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H17NO4S/c1-19-13-5-3-12(4-6-13)11-16-21(17,18)15-9-7-14(20-2)8-10-15/h3-10,16H,11H2,1-2H3
InChIKeyVADICDMNVKEEAM-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.18
Rot. Bonds6

About 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 741350) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID741350
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H17NO4S/c1-19-13-5-3-12(4-6-13)11-16-21(17,18)15-9-7-14(20-2)8-10-15/h3-10,16H,11H2,1-2H3
InChIKeyVADICDMNVKEEAM-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 741350) is 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is VADICDMNVKEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-13-5-3-12(4-6-13)11-16-21(17,18)15-9-7-14(20-2)8-10-15/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 741350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).