phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate

C18H14FNO4S2 — CID 20842957

IUPACphenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C18H14FNO4S2/c19-14-8-6-13(7-9-14)11-20-26(22,23)16-10-17(25-12-16)18(21)24-15-4-2-1-3-5-15/h1-10,12,20H,11H2
InChIKeyJOVKBENFWNKZAZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.58
Rot. Bonds6

About phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate

phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 20842957) has the molecular formula C18H14FNO4S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namephenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID20842957
Molecular FormulaC18H14FNO4S2
Molecular Weight391.45 g/mol
Exact Mass391.03
IUPAC Namephenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1
InChIInChI=1S/C18H14FNO4S2/c19-14-8-6-13(7-9-14)11-20-26(22,23)16-10-17(25-12-16)18(21)24-15-4-2-1-3-5-15/h1-10,12,20H,11H2
InChIKeyJOVKBENFWNKZAZ-UHFFFAOYSA-N
XLogP3.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorophenyl)methylsulfamoyl]-N-propylthiophene-2-carboxamide
CID 20842955
4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide
CID 6504058
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 6503673
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
4-fluoro-N-(phenoxymethyl)benzenesulfonamide
CID 70133327
[(1R)-1-(4-fluorophenyl)ethyl] 3-(benzylsulfamoyl)benzoate
CID 7666436
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate (CID 20842957) is phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate is O=C(Oc1ccccc1)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cs1.
What is the InChIKey of phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is JOVKBENFWNKZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S2/c19-14-8-6-13(7-9-14)11-20-26(22,23)16-10-17(25-12-16)18(21)24-15-4-2-1-3-5-15/h1-10,12,20H,11H2.
What are the key properties of phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 391.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 20842957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).