methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate

C12H12ClNO4S3 — CID 102748842

IUPACmethyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO4S3/c1-7-6-19-10(12(15)18-2)11(7)21(16,17)14-5-8-3-4-9(13)20-8/h3-4,6,14H,5H2,1-2H3
InChIKeyKJYHEFGZSQIHNI-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.04
Rot. Bonds5

About methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102748842) has the molecular formula C12H12ClNO4S3 and a molecular weight of 365.89 g/mol. Its IUPAC name is methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102748842
Molecular FormulaC12H12ClNO4S3
Molecular Weight365.89 g/mol
Exact Mass364.96
IUPAC Namemethyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO4S3/c1-7-6-19-10(12(15)18-2)11(7)21(16,17)14-5-8-3-4-9(13)20-8/h3-4,6,14H,5H2,1-2H3
InChIKeyKJYHEFGZSQIHNI-UHFFFAOYSA-N
XLogP3.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749316
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3,6-dimethylbenzenesulfonamide
CID 103171540
methyl 3-(but-3-ynylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102748829
methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 10383342
methyl 3-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748597
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 3-(3-hydroxypentylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749328
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748753
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 120874294

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate (CID 102748842) is methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCc1ccc(Cl)s1.
What is the InChIKey of methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is KJYHEFGZSQIHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S3/c1-7-6-19-10(12(15)18-2)11(7)21(16,17)14-5-8-3-4-9(13)20-8/h3-4,6,14H,5H2,1-2H3.
What are the key properties of methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 365.89 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102748842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).