methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate

C14H14FNO4S2 — CID 18148608

IUPACmethyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C14H14FNO4S2/c1-9-7-10(3-4-11(9)15)8-16-22(18,19)12-5-6-21-13(12)14(17)20-2/h3-7,16H,8H2,1-2H3
InChIKeySMIQGQDRRMSYOI-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.46
Rot. Bonds5

About methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 18148608) has the molecular formula C14H14FNO4S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID18148608
Molecular FormulaC14H14FNO4S2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Namemethyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C14H14FNO4S2/c1-9-7-10(3-4-11(9)15)8-16-22(18,19)12-5-6-21-13(12)14(17)20-2/h3-7,16H,8H2,1-2H3
InChIKeySMIQGQDRRMSYOI-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 5017680
methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592
methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate
CID 18148291
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate
CID 3750756
methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate
CID 18148549
N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24581067
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
methyl 3-[3-(2-fluorophenyl)prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90552674
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate (CID 18148608) is methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1ccc(F)c(C)c1.
What is the InChIKey of methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is SMIQGQDRRMSYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S2/c1-9-7-10(3-4-11(9)15)8-16-22(18,19)12-5-6-21-13(12)14(17)20-2/h3-7,16H,8H2,1-2H3.
What are the key properties of methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18148608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).