2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid

C15H15NO5S — CID 500044

IUPAC2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)
InChIKeyAFNBBRUKSKERPY-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.80
Rot. Bonds6

About 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid

2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 500044) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID500044
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18)
InChIKeyAFNBBRUKSKERPY-UHFFFAOYSA-N
XLogP1.80
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
CID 46844305
N-[1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 102027950

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid (CID 500044) is 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid is COc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is AFNBBRUKSKERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-21-12-7-9-13(10-8-12)22(19,20)16-14(15(17)18)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H,17,18).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 321.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 500044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).