methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate

C15H14INO4S — CID 3676370

IUPACmethyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H14INO4S/c1-21-15(18)14(11-5-3-2-4-6-11)17-22(19,20)13-9-7-12(16)8-10-13/h2-10,14,17H,1H3
InChIKeyPNPXRCIZUCUBIV-UHFFFAOYSA-N
MW431.25 g/mol
LogP2.48
Rot. Bonds5

About methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate

methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate (PubChem CID 3676370) has the molecular formula C15H14INO4S and a molecular weight of 431.25 g/mol. Its IUPAC name is methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
PubChem CID3676370
Molecular FormulaC15H14INO4S
Molecular Weight431.25 g/mol
Exact Mass430.97
IUPAC Namemethyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H14INO4S/c1-21-15(18)14(11-5-3-2-4-6-11)17-22(19,20)13-9-7-12(16)8-10-13/h2-10,14,17H,1H3
InChIKeyPNPXRCIZUCUBIV-UHFFFAOYSA-N
XLogP2.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate 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

methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
methyl (2S)-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-2-phenylacetate
CID 102431537
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
methyl 2-(benzenesulfonamido)-2-[4-(benzenesulfonyloxy)phenyl]acetate
CID 10766425
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
CID 5009964
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate (CID 3676370) is methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate is COC(=O)C(NS(=O)(=O)c1ccc(I)cc1)c1ccccc1.
What is the InChIKey of methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is PNPXRCIZUCUBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO4S/c1-21-15(18)14(11-5-3-2-4-6-11)17-22(19,20)13-9-7-12(16)8-10-13/h2-10,14,17H,1H3.
What are the key properties of methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate?
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate has a molecular weight of 431.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 3676370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).