methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate

C14H14FNO4S2 — CID 18134651

IUPACmethyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4S2/c1-9(10-3-5-11(15)6-4-10)16-22(18,19)12-7-8-21-13(12)14(17)20-2/h3-9,16H,1-2H3
InChIKeyFAYJHGGWEVRNIZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.71
Rot. Bonds5

About methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 18134651) has the molecular formula C14H14FNO4S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID18134651
Molecular FormulaC14H14FNO4S2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Namemethyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO4S2/c1-9(10-3-5-11(15)6-4-10)16-22(18,19)12-7-8-21-13(12)14(17)20-2/h3-9,16H,1-2H3
InChIKeyFAYJHGGWEVRNIZ-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
Dimethyl 5-[(benzylamino)sulfonyl]-3-methyl-2,4-thiophenedicarboxylate
CID 1186218
Dimethyl 3-methyl-5-{[(2-thienylmethyl)amino]sulfonyl}-2,4-thiophenedicarboxylate
CID 1582770
5-(Benzylsulfamoyl)-4-(methoxycarbonyl)-3-methylthiophene-2-carboxylic acid
CID 2412324
Methyl 4-methyl-3-(4-toluidinosulfonyl)thiophene-2-carboxylate
CID 2807966
methyl 4-[(E)-2-propyl-1-(thiophen-2-ylsulfonylamino)hex-2-enyl]benzoate
CID 5771783
Methyl 3-[5-(aminomethyl)thiophen-2-yl]sulfonylbenzoate;hydrochloride
CID 130345207
US10807974, Example 23
CID 130345208
Methyl 3-({[4-(aminosulfonyl)benzyl]amino}sulfonyl)-2-thiophenecarboxylate
CID 2738730
Methyl 4-fluoro-3-[(4-fluorobenzyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 16026514
Methyl 4-fluoro-3-[(1-phenylethyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 16026520
3-[(4-Methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43090749

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate (CID 18134651) is methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is FAYJHGGWEVRNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S2/c1-9(10-3-5-11(15)6-4-10)16-22(18,19)12-7-8-21-13(12)14(17)20-2/h3-9,16H,1-2H3.
What are the key properties of methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18134651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).