2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid

C11H15NO4S — CID 18522092

IUPAC2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
SMILESCC(CS(=O)(=O)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-9(11(13)14)8-17(15,16)12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeyNYGOIVBRXIEXHH-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid

2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid (PubChem CID 18522092) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
PubChem CID18522092
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
SMILESCC(CS(=O)(=O)N(C)c1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO4S/c1-9(11(13)14)8-17(15,16)12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeyNYGOIVBRXIEXHH-UHFFFAOYSA-N
XLogP1.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 54465644
3-[benzyl(methyl)sulfamoyl]-2-methylpropanoic acid
CID 18522094
3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 79580450
2-[methyl(phenyl)sulfamoyl]acetic acid
CID 28773465
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746
(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745
1-cyano-N-methyl-N-phenylmethanesulfonamide
CID 60711469
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid
CID 122120299
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924
(2S)-2,4-dimethylpentanoic acid;2-(methylamino)-3-(N-methylanilino)propanoic acid
CID 142141703
N-hydroxy-8-[methyl(phenyl)sulfamoyl]octanamide
CID 10131480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid (CID 18522092) is 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid is CC(CS(=O)(=O)N(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid?
The InChIKey is NYGOIVBRXIEXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9(11(13)14)8-17(15,16)12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid?
2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 18522092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).