methyl 3-[(2-iodophenyl)sulfamoyl]benzoate

C14H12INO4S — CID 31699712

IUPACmethyl 3-[(2-iodophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C14H12INO4S/c1-20-14(17)10-5-4-6-11(9-10)21(18,19)16-13-8-3-2-7-12(13)15/h2-9,16H,1H3
InChIKeyHLQHPSMGKLHBRW-UHFFFAOYSA-N
MW417.22 g/mol
LogP2.88
Rot. Bonds4

About methyl 3-[(2-iodophenyl)sulfamoyl]benzoate

methyl 3-[(2-iodophenyl)sulfamoyl]benzoate (PubChem CID 31699712) has the molecular formula C14H12INO4S and a molecular weight of 417.22 g/mol. Its IUPAC name is methyl 3-[(2-iodophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-iodophenyl)sulfamoyl]benzoate
PubChem CID31699712
Molecular FormulaC14H12INO4S
Molecular Weight417.22 g/mol
Exact Mass416.95
IUPAC Namemethyl 3-[(2-iodophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C14H12INO4S/c1-20-14(17)10-5-4-6-11(9-10)21(18,19)16-13-8-3-2-7-12(13)15/h2-9,16H,1H3
InChIKeyHLQHPSMGKLHBRW-UHFFFAOYSA-N
XLogP2.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.22
LogP ≤ 52.88
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

3-[(2-iodophenyl)sulfamoyl]benzenecarbothioamide
CID 28978447
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[[2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]benzoate
CID 25331588
methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
CID 30768646
methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 31700234
N-(2-iodophenyl)benzenesulfonamide
CID 632219
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
methyl 3-methylsulfonylbenzoate
CID 6432252

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-iodophenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(2-iodophenyl)sulfamoyl]benzoate (CID 31699712) is methyl 3-[(2-iodophenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(2-iodophenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(2-iodophenyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2I)c1.
What is the InChIKey of methyl 3-[(2-iodophenyl)sulfamoyl]benzoate?
The InChIKey is HLQHPSMGKLHBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO4S/c1-20-14(17)10-5-4-6-11(9-10)21(18,19)16-13-8-3-2-7-12(13)15/h2-9,16H,1H3.
What are the key properties of methyl 3-[(2-iodophenyl)sulfamoyl]benzoate?
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate has a molecular weight of 417.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-iodophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 31699712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).