methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate

C11H14INO4S — CID 50891165

IUPACmethyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate
SMILESCCS(=O)(=O)N(CC(=O)OC)c1cccc(I)c1
InChIInChI=1S/C11H14INO4S/c1-3-18(15,16)13(8-11(14)17-2)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3
InChIKeyFUHXTFBCWAMRAN-UHFFFAOYSA-N
MW383.21 g/mol
LogP1.62
Rot. Bonds5

About methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate

methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate (PubChem CID 50891165) has the molecular formula C11H14INO4S and a molecular weight of 383.21 g/mol. Its IUPAC name is methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate
PubChem CID50891165
Molecular FormulaC11H14INO4S
Molecular Weight383.21 g/mol
Exact Mass382.97
IUPAC Namemethyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate
SMILESCCS(=O)(=O)N(CC(=O)OC)c1cccc(I)c1
InChIInChI=1S/C11H14INO4S/c1-3-18(15,16)13(8-11(14)17-2)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3
InChIKeyFUHXTFBCWAMRAN-UHFFFAOYSA-N
XLogP1.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891171
4-(N-ethylsulfonyl-3-iodoanilino)butanoic acid
CID 50891191
methyl 2-(N-ethylsulfonyl-2,6-dimethylanilino)acetate
CID 50892026
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891301
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891296
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
methyl 2-(3-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890869
2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50891265
2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891255
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891507
methyl 2-[N-(benzenesulfonyl)-4-propoxyanilino]acetate
CID 50894913

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate?
The IUPAC name of methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate (CID 50891165) is methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate.
What is the SMILES notation for methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate?
The canonical SMILES for methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate is CCS(=O)(=O)N(CC(=O)OC)c1cccc(I)c1.
What is the InChIKey of methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate?
The InChIKey is FUHXTFBCWAMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO4S/c1-3-18(15,16)13(8-11(14)17-2)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate?
methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate has a molecular weight of 383.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-ethylsulfonyl-3-iodoanilino)acetate is sourced from PubChem (CID 50891165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).