dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

C15H14BrNO6S2 — CID 1190523

IUPACdimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(Br)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C15H14BrNO6S2/c1-8-11(13(18)22-2)15(24-12(8)14(19)23-3)25(20,21)17-10-6-4-9(16)5-7-10/h4-7,17H,1-3H3
InChIKeyGSMAWMVXOWENPU-UHFFFAOYSA-N
MW448.32 g/mol
LogP3.19
Rot. Bonds5

About dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 1190523) has the molecular formula C15H14BrNO6S2 and a molecular weight of 448.32 g/mol. Its IUPAC name is dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
PubChem CID1190523
Molecular FormulaC15H14BrNO6S2
Molecular Weight448.32 g/mol
Exact Mass446.94
IUPAC Namedimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(Br)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C15H14BrNO6S2/c1-8-11(13(18)22-2)15(24-12(8)14(19)23-3)25(20,21)17-10-6-4-9(16)5-7-10/h4-7,17H,1-3H3
InChIKeyGSMAWMVXOWENPU-UHFFFAOYSA-N
XLogP3.19
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2943684
Methyl 4-methyl-3-(4-toluidinosulfonyl)thiophene-2-carboxylate
CID 2807966
Dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate
CID 1051349
Ethyl 4-{[(5-bromo-2-thienyl)sulfonyl]amino}benzoate
CID 2194299
C16H14F3NO6S2
CID 1190482
Dimethyl 5-[(5-fluoro-2-methylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 4558647
Dimethyl 5-[(4-bromo-2-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 17492251
Methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 1319432
Dimethyl 5-[(4-butylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2142678
Dimethyl 5-[(4-fluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2535544
Dimethyl 5-[(3,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 4796493
Dimethyl 5-[(2-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 5138772

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (CID 1190523) is dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)Nc2ccc(Br)cc2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is GSMAWMVXOWENPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO6S2/c1-8-11(13(18)22-2)15(24-12(8)14(19)23-3)25(20,21)17-10-6-4-9(16)5-7-10/h4-7,17H,1-3H3.
What are the key properties of dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 448.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 1190523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).