4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide

C16H19NO4S — CID 2231172

IUPAC4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C
InChIInChI=1S/C16H19NO4S/c1-13-12-15(8-9-16(13)20-2)22(18,19)17-10-11-21-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyPIPDEVLGMFEQPI-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.36
Rot. Bonds7

About 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 2231172) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID2231172
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C
InChIInChI=1S/C16H19NO4S/c1-13-12-15(8-9-16(13)20-2)22(18,19)17-10-11-21-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyPIPDEVLGMFEQPI-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide (CID 2231172) is 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is PIPDEVLGMFEQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-13-12-15(8-9-16(13)20-2)22(18,19)17-10-11-21-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2231172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).