2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid

C11H12N2O5S — CID 104847953

IUPAC2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H12N2O5S/c1-7(11(14)15)19(16,17)13-9-4-3-8(6-12)5-10(9)18-2/h3-5,7,13H,1-2H3,(H,14,15)
InChIKeyDWJNRPPDWPCTCL-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.78
Rot. Bonds5

About 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid

2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid (PubChem CID 104847953) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
PubChem CID104847953
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H12N2O5S/c1-7(11(14)15)19(16,17)13-9-4-3-8(6-12)5-10(9)18-2/h3-5,7,13H,1-2H3,(H,14,15)
InChIKeyDWJNRPPDWPCTCL-UHFFFAOYSA-N
XLogP0.78
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromo-4-cyanophenyl)sulfamoyl]propanoic acid
CID 54947598
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
4-(4-cyano-2-methoxyanilino)pentanoic acid
CID 104848343
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
2-[(2,4-dibromo-5-methoxyphenyl)sulfamoyl]propanoic acid
CID 103410995
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
4-(1-cyanoethylamino)-3-methoxybenzonitrile
CID 104848721

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid (CID 104847953) is 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid is COc1cc(C#N)ccc1NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid?
The InChIKey is DWJNRPPDWPCTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-7(11(14)15)19(16,17)13-9-4-3-8(6-12)5-10(9)18-2/h3-5,7,13H,1-2H3,(H,14,15).
What are the key properties of 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid?
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid has a molecular weight of 284.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 104847953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).