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

C15H17NO5S — CID 778398

IUPAC3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H17NO5S/c1-19-12-6-4-5-11(9-12)16-22(17,18)13-7-8-14(20-2)15(10-13)21-3/h4-10,16H,1-3H3
InChIKeyJORAVQJWLLPLMB-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.51
Rot. Bonds6

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

3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 778398) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID778398
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H17NO5S/c1-19-12-6-4-5-11(9-12)16-22(17,18)13-7-8-14(20-2)15(10-13)21-3/h4-10,16H,1-3H3
InChIKeyJORAVQJWLLPLMB-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 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 778398) is 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is JORAVQJWLLPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-19-12-6-4-5-11(9-12)16-22(17,18)13-7-8-14(20-2)15(10-13)21-3/h4-10,16H,1-3H3.
What are the key properties of 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide?
3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide 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 3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 778398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).