[(3-methoxyphenyl)sulfonylamino] butanoate

C11H15NO5S — CID 90797879

IUPAC[(3-methoxyphenyl)sulfonylamino] butanoate
SMILESCCCC(=O)ONS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C11H15NO5S/c1-3-5-11(13)17-12-18(14,15)10-7-4-6-9(8-10)16-2/h4,6-8,12H,3,5H2,1-2H3
InChIKeyRKKBUZUBEMVRBF-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.23
Rot. Bonds6

About [(3-methoxyphenyl)sulfonylamino] butanoate

[(3-methoxyphenyl)sulfonylamino] butanoate (PubChem CID 90797879) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is [(3-methoxyphenyl)sulfonylamino] butanoate.

Molecular Properties

Compound Name[(3-methoxyphenyl)sulfonylamino] butanoate
PubChem CID90797879
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name[(3-methoxyphenyl)sulfonylamino] butanoate
SMILESCCCC(=O)ONS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C11H15NO5S/c1-3-5-11(13)17-12-18(14,15)10-7-4-6-9(8-10)16-2/h4,6-8,12H,3,5H2,1-2H3
InChIKeyRKKBUZUBEMVRBF-UHFFFAOYSA-N
XLogP1.23
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[3-(4-aminobutoxy)phenyl]sulfonylamino] butanoate
CID 91477105
[(3-bromophenyl)sulfonylamino] hexanoate
CID 174365163
ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
(2R)-2-ethoxy-N-(3-methoxyphenyl)sulfonylpropanamide
CID 95276135
3-ethylsulfanyl-N-(3-methoxyphenyl)sulfonylpropanamide
CID 47480123
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756

Frequently Asked Questions

What is the IUPAC name of [(3-methoxyphenyl)sulfonylamino] butanoate?
The IUPAC name of [(3-methoxyphenyl)sulfonylamino] butanoate (CID 90797879) is [(3-methoxyphenyl)sulfonylamino] butanoate.
What is the SMILES notation for [(3-methoxyphenyl)sulfonylamino] butanoate?
The canonical SMILES for [(3-methoxyphenyl)sulfonylamino] butanoate is CCCC(=O)ONS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of [(3-methoxyphenyl)sulfonylamino] butanoate?
The InChIKey is RKKBUZUBEMVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-5-11(13)17-12-18(14,15)10-7-4-6-9(8-10)16-2/h4,6-8,12H,3,5H2,1-2H3.
What are the key properties of [(3-methoxyphenyl)sulfonylamino] butanoate?
[(3-methoxyphenyl)sulfonylamino] butanoate has a molecular weight of 273.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methoxyphenyl)sulfonylamino] butanoate is sourced from PubChem (CID 90797879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).