methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate

C18H14FNO4S2 — CID 11383748

IUPACmethyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C18H14FNO4S2/c1-24-18(21)17-16(13(10-25-17)11-5-3-2-4-6-11)12-7-8-15(14(19)9-12)26(20,22)23/h2-10H,1H3,(H2,20,22,23)
InChIKeySJUQSLLITHYWMM-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.66
Rot. Bonds4

About methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate

methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate (PubChem CID 11383748) has the molecular formula C18H14FNO4S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate
PubChem CID11383748
Molecular FormulaC18H14FNO4S2
Molecular Weight391.45 g/mol
Exact Mass391.03
IUPAC Namemethyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C18H14FNO4S2/c1-24-18(21)17-16(13(10-25-17)11-5-3-2-4-6-11)12-7-8-15(14(19)9-12)26(20,22)23/h2-10H,1H3,(H2,20,22,23)
InChIKeySJUQSLLITHYWMM-UHFFFAOYSA-N
XLogP3.66
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate (CID 11383748) is methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate is COC(=O)c1scc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)c(F)c1.
What is the InChIKey of methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate?
The InChIKey is SJUQSLLITHYWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S2/c1-24-18(21)17-16(13(10-25-17)11-5-3-2-4-6-11)12-7-8-15(14(19)9-12)26(20,22)23/h2-10H,1H3,(H2,20,22,23).
What are the key properties of methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate?
methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate has a molecular weight of 391.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-4-sulfamoylphenyl)-4-phenylthiophene-2-carboxylate is sourced from PubChem (CID 11383748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).