methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate

C12H10INO4S2 — CID 35857830

IUPACmethyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H10INO4S2/c1-18-12(15)11-10(6-7-19-11)20(16,17)14-9-5-3-2-4-8(9)13/h2-7,14H,1H3
InChIKeyMMHACRLVPXBLFY-UHFFFAOYSA-N
MW423.25 g/mol
LogP2.94
Rot. Bonds4

About methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 35857830) has the molecular formula C12H10INO4S2 and a molecular weight of 423.25 g/mol. Its IUPAC name is methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID35857830
Molecular FormulaC12H10INO4S2
Molecular Weight423.25 g/mol
Exact Mass422.91
IUPAC Namemethyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H10INO4S2/c1-18-12(15)11-10(6-7-19-11)20(16,17)14-9-5-3-2-4-8(9)13/h2-7,14H,1H3
InChIKeyMMHACRLVPXBLFY-UHFFFAOYSA-N
XLogP2.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
CID 3780569
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 75449190
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 60534296

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate (CID 35857830) is methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1I.
What is the InChIKey of methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is MMHACRLVPXBLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO4S2/c1-18-12(15)11-10(6-7-19-11)20(16,17)14-9-5-3-2-4-8(9)13/h2-7,14H,1H3.
What are the key properties of methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 423.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 35857830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).