3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide

C15H16N2O4S — CID 139820857

IUPAC3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide
SMILESNCC(=O)CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-10-13(18)11-22(19,20)17-12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-9,17H,10-11,16H2
InChIKeySFZUEKJUYOFSAN-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.75
Rot. Bonds7

About 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide

3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide (PubChem CID 139820857) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide
PubChem CID139820857
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide
SMILESNCC(=O)CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H16N2O4S/c16-10-13(18)11-22(19,20)17-12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-9,17H,10-11,16H2
InChIKeySFZUEKJUYOFSAN-UHFFFAOYSA-N
XLogP1.75
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-phenoxyanilino)ethanesulfonamide
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2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide (CID 139820857) is 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide is NCC(=O)CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide?
The InChIKey is SFZUEKJUYOFSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c16-10-13(18)11-22(19,20)17-12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-9,17H,10-11,16H2.
What are the key properties of 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide?
3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxo-N-(4-phenoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 139820857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).