methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate

C13H12FNO4S2 — CID 3868335

IUPACmethyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H12FNO4S2/c1-19-13(16)12-11(5-6-20-12)21(17,18)15-8-9-3-2-4-10(14)7-9/h2-7,15H,8H2,1H3
InChIKeyBBCKFSAMPLLELB-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.15
Rot. Bonds5

About methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 3868335) has the molecular formula C13H12FNO4S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID3868335
Molecular FormulaC13H12FNO4S2
Molecular Weight329.37 g/mol
Exact Mass329.02
IUPAC Namemethyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H12FNO4S2/c1-19-13(16)12-11(5-6-20-12)21(17,18)15-8-9-3-2-4-10(14)7-9/h2-7,15H,8H2,1H3
InChIKeyBBCKFSAMPLLELB-UHFFFAOYSA-N
XLogP2.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate (CID 3868335) is methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is BBCKFSAMPLLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S2/c1-19-13(16)12-11(5-6-20-12)21(17,18)15-8-9-3-2-4-10(14)7-9/h2-7,15H,8H2,1H3.
What are the key properties of methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 329.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3868335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).