3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide

C15H17NO4S — CID 3244859

IUPAC3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C15H17NO4S/c1-11-4-6-12(7-5-11)16-21(17,18)13-8-9-14(19-2)15(10-13)20-3/h4-10,16H,1-3H3
InChIKeyVVPQLKNZJPDFGL-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.81
Rot. Bonds5

About 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide

3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 3244859) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide
PubChem CID3244859
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C15H17NO4S/c1-11-4-6-12(7-5-11)16-21(17,18)13-8-9-14(19-2)15(10-13)20-3/h4-10,16H,1-3H3
InChIKeyVVPQLKNZJPDFGL-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide (CID 3244859) is 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is VVPQLKNZJPDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-4-6-12(7-5-11)16-21(17,18)13-8-9-14(19-2)15(10-13)20-3/h4-10,16H,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide?
3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3244859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).