4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide

C16H17NO4S — CID 2530930

IUPAC4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-13(18)14-7-9-16(10-8-14)22(19,20)17-11-12-21-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3
InChIKeySGUCXISPTFDZAM-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.25
Rot. Bonds7

About 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide

4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 2530930) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID2530930
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-13(18)14-7-9-16(10-8-14)22(19,20)17-11-12-21-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3
InChIKeySGUCXISPTFDZAM-UHFFFAOYSA-N
XLogP2.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.25
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-acetyl-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide (CID 2530930) is 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is SGUCXISPTFDZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-13(18)14-7-9-16(10-8-14)22(19,20)17-11-12-21-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3.
What are the key properties of 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide?
4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2530930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).