propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate

C11H14INO4S — CID 4685116

IUPACpropan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO4S/c1-8(2)17-11(14)7-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyQFIVUVATEPBKGS-UHFFFAOYSA-N
MW383.21 g/mol
LogP1.52
Rot. Bonds5

About propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate

propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate (PubChem CID 4685116) has the molecular formula C11H14INO4S and a molecular weight of 383.21 g/mol. Its IUPAC name is propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate
PubChem CID4685116
Molecular FormulaC11H14INO4S
Molecular Weight383.21 g/mol
Exact Mass382.97
IUPAC Namepropan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate
SMILESCC(C)OC(=O)CNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO4S/c1-8(2)17-11(14)7-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyQFIVUVATEPBKGS-UHFFFAOYSA-N
XLogP1.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 43010505
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596265
4-[(4-iodophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540438
methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663707
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8603350
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55421866

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate?
The IUPAC name of propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate (CID 4685116) is propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate is CC(C)OC(=O)CNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate?
The InChIKey is QFIVUVATEPBKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO4S/c1-8(2)17-11(14)7-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate?
propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate has a molecular weight of 383.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate is sourced from PubChem (CID 4685116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).