3,4-dimethoxy-N-phenylbenzenesulfonamide

C14H15NO4S — CID 740560

IUPAC3,4-dimethoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyCVQXOCMYHLBICI-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.50
Rot. Bonds5

About 3,4-dimethoxy-N-phenylbenzenesulfonamide

3,4-dimethoxy-N-phenylbenzenesulfonamide (PubChem CID 740560) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-phenylbenzenesulfonamide
PubChem CID740560
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3,4-dimethoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3
InChIKeyCVQXOCMYHLBICI-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.50
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-phenylbenzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-phenylbenzenesulfonamide (CID 740560) is 3,4-dimethoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-phenylbenzenesulfonamide?
The InChIKey is CVQXOCMYHLBICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-18-13-9-8-12(10-14(13)19-2)20(16,17)15-11-6-4-3-5-7-11/h3-10,15H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-phenylbenzenesulfonamide?
3,4-dimethoxy-N-phenylbenzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 2.50, 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-phenylbenzenesulfonamide is sourced from PubChem (CID 740560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).