2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid

C15H15NO4S — CID 43440325

IUPAC2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H15NO4S/c1-16(13-5-3-2-4-6-13)21(19,20)14-9-7-12(8-10-14)11-15(17)18/h2-10H,11H2,1H3,(H,17,18)
InChIKeySEDLQABRUPZUHL-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid

2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid (PubChem CID 43440325) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
PubChem CID43440325
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H15NO4S/c1-16(13-5-3-2-4-6-13)21(19,20)14-9-7-12(8-10-14)11-15(17)18/h2-10H,11H2,1H3,(H,17,18)
InChIKeySEDLQABRUPZUHL-UHFFFAOYSA-N
XLogP2.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788127
[4-(2-methoxy-2-oxoethyl)phenyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18076744
2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
CID 113224421
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
CID 100787443
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
2-[4-[(2-amino-2-oxoethyl)-methylsulfamoyl]phenyl]acetic acid
CID 43440524
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
CID 133260941
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid (CID 43440325) is 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid is CN(c1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is SEDLQABRUPZUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16(13-5-3-2-4-6-13)21(19,20)14-9-7-12(8-10-14)11-15(17)18/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid?
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43440325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).