methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate

C12H9F2NO4S2 — CID 4626673

IUPACmethyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO4S2/c1-19-12(16)11-10(4-5-20-11)21(17,18)15-9-3-2-7(13)6-8(9)14/h2-6,15H,1H3
InChIKeyFJDWOULIOQOVAC-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.61
Rot. Bonds4

About methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 4626673) has the molecular formula C12H9F2NO4S2 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID4626673
Molecular FormulaC12H9F2NO4S2
Molecular Weight333.34 g/mol
Exact Mass332.99
IUPAC Namemethyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO4S2/c1-19-12(16)11-10(4-5-20-11)21(17,18)15-9-3-2-7(13)6-8(9)14/h2-6,15H,1H3
InChIKeyFJDWOULIOQOVAC-UHFFFAOYSA-N
XLogP2.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808792
Methyl 3-(2,4-difluorophenylsulfonamido)thiophene-2-carboxylate
CID 2807719
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
Methyl 3-[(phenylsulfonyl)amino]thiophene-2-carboxylate
CID 4430392
Methyl 2-methyl-4-[(phenylsulfonyl)amino]thiophene-3-carboxylate
CID 2808348
Methyl 4-methyl-3-(4-toluidinosulfonyl)thiophene-2-carboxylate
CID 2807966
2-Thiophenecarboxylic acid, 3-((methylphenylamino)sulfonyl)-, methyl ester
CID 3072130
Methyl 3-{[(2-nitrophenyl)sulfonyl]amino}thiophene-2-carboxylate
CID 5170432
C16H14F3NO6S2
CID 1190482
3-[(4-Fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 17221149
3-(4-Sulfamoyl-phenylsulfamoyl)-thiophene-2-carboxylic acid
CID 2809622
Methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 2809663

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate (CID 4626673) is methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is FJDWOULIOQOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4S2/c1-19-12(16)11-10(4-5-20-11)21(17,18)15-9-3-2-7(13)6-8(9)14/h2-6,15H,1H3.
What are the key properties of methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4-difluorophenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 4626673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).