2-[methyl(phenyl)sulfamoyl]acetic acid

C9H11NO4S — CID 28773465

IUPAC2-[methyl(phenyl)sulfamoyl]acetic acid
SMILESCN(c1ccccc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H11NO4S/c1-10(8-5-3-2-4-6-8)15(13,14)7-9(11)12/h2-6H,7H2,1H3,(H,11,12)
InChIKeyWZRUMZRVNJXYIQ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.54
Rot. Bonds4

About 2-[methyl(phenyl)sulfamoyl]acetic acid

2-[methyl(phenyl)sulfamoyl]acetic acid (PubChem CID 28773465) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[methyl(phenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl(phenyl)sulfamoyl]acetic acid
PubChem CID28773465
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-[methyl(phenyl)sulfamoyl]acetic acid
SMILESCN(c1ccccc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H11NO4S/c1-10(8-5-3-2-4-6-8)15(13,14)7-9(11)12/h2-6H,7H2,1H3,(H,11,12)
InChIKeyWZRUMZRVNJXYIQ-UHFFFAOYSA-N
XLogP0.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
CID 18522092
N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 54465644
1-cyano-N-methyl-N-phenylmethanesulfonamide
CID 60711469
2-[methyl(2-phenylethyl)sulfamoyl]acetic acid
CID 60951883
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
N-hydroxy-8-[methyl(phenyl)sulfamoyl]octanamide
CID 10131480
3-[methyl(phenyl)sulfamoyl]-N-propylpropanamide
CID 110342905
3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 79580450
sodium N-methyl-N-phenylsulfamate
CID 23690703
N-benzyl-N-ethyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342932
ethyl 2-[2-[methyl(phenyl)sulfamoyl]ethylamino]-2-oxoacetate
CID 110287709

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl(phenyl)sulfamoyl]acetic acid (CID 28773465) is 2-[methyl(phenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl(phenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl(phenyl)sulfamoyl]acetic acid is CN(c1ccccc1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[methyl(phenyl)sulfamoyl]acetic acid?
The InChIKey is WZRUMZRVNJXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-10(8-5-3-2-4-6-8)15(13,14)7-9(11)12/h2-6H,7H2,1H3,(H,11,12).
What are the key properties of 2-[methyl(phenyl)sulfamoyl]acetic acid?
2-[methyl(phenyl)sulfamoyl]acetic acid has a molecular weight of 229.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28773465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).