methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate

C14H14FNO4S2 — CID 16766382

IUPACmethyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H14FNO4S2/c1-20-14(17)13-12(7-9-21-13)22(18,19)16-8-6-10-2-4-11(15)5-3-10/h2-5,7,9,16H,6,8H2,1H3
InChIKeyVTIZNSAGQNKLSZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.19
Rot. Bonds6

About methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 16766382) has the molecular formula C14H14FNO4S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID16766382
Molecular FormulaC14H14FNO4S2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Namemethyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H14FNO4S2/c1-20-14(17)13-12(7-9-21-13)22(18,19)16-8-6-10-2-4-11(15)5-3-10/h2-5,7,9,16H,6,8H2,1H3
InChIKeyVTIZNSAGQNKLSZ-UHFFFAOYSA-N
XLogP2.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate (CID 16766382) is methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCc1ccc(F)cc1.
What is the InChIKey of methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is VTIZNSAGQNKLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S2/c1-20-14(17)13-12(7-9-21-13)22(18,19)16-8-6-10-2-4-11(15)5-3-10/h2-5,7,9,16H,6,8H2,1H3.
What are the key properties of methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 16766382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).