3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide

C16H19NO4S — CID 740562

IUPAC3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-20-15-9-8-14(12-16(15)21-2)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyYQBJRUNQEJLDMV-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds7

About 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide

3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 740562) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID740562
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-20-15-9-8-14(12-16(15)21-2)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyYQBJRUNQEJLDMV-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.22
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-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide (CID 740562) is 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is YQBJRUNQEJLDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-15-9-8-14(12-16(15)21-2)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 740562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).