2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid

C11H15NO5S — CID 114253050

IUPAC2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
SMILESCOCc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C11H15NO5S/c1-8(11(13)14)18(15,16)12-10-5-3-9(4-6-10)7-17-2/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyFOMYJMOLNCWTQY-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.05
Rot. Bonds6

About 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid

2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid (PubChem CID 114253050) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
PubChem CID114253050
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
SMILESCOCc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C11H15NO5S/c1-8(11(13)14)18(15,16)12-10-5-3-9(4-6-10)7-17-2/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyFOMYJMOLNCWTQY-UHFFFAOYSA-N
XLogP1.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-propylphenyl)sulfamoyl]propanoic acid
CID 54947538
2-[[4-[2-(methylamino)-2-oxoethyl]phenyl]sulfamoyl]propanoic acid
CID 61455083
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 61454647
2-[[3-(methoxymethyl)phenyl]methylsulfamoyl]propanoic acid
CID 61458173
2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
CID 61454372
2-[(4-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
CID 61455047
4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 114252948
2-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 61455322
2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide
CID 114253086
2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide
CID 114253205
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid (CID 114253050) is 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid is COCc1ccc(NS(=O)(=O)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is FOMYJMOLNCWTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8(11(13)14)18(15,16)12-10-5-3-9(4-6-10)7-17-2/h3-6,8,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid?
2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 114253050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).