2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide

C16H19NO4S — CID 648432

IUPAC2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H19NO4S/c1-20-14-8-9-15(21-2)16(12-14)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyIDHGEDWYGTZKJZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds7

About 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide

2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 648432) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID648432
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H19NO4S/c1-20-14-8-9-15(21-2)16(12-14)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyIDHGEDWYGTZKJZ-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 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide (CID 648432) is 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is IDHGEDWYGTZKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-14-8-9-15(21-2)16(12-14)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 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
2,5-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 2,5-dimethoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 648432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).