methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate

C7H8ClNO4S2 — CID 16639977

IUPACmethyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate
SMILESCNS(=O)(=O)c1c(Cl)csc1C(=O)OC
InChIInChI=1S/C7H8ClNO4S2/c1-9-15(11,12)6-4(8)3-14-5(6)7(10)13-2/h3,9H,1-2H3
InChIKeySHSWNJAJSISZBX-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.10
Rot. Bonds3

About methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate

methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate (PubChem CID 16639977) has the molecular formula C7H8ClNO4S2 and a molecular weight of 269.73 g/mol. Its IUPAC name is methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate
PubChem CID16639977
Molecular FormulaC7H8ClNO4S2
Molecular Weight269.73 g/mol
Exact Mass268.96
IUPAC Namemethyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate
SMILESCNS(=O)(=O)c1c(Cl)csc1C(=O)OC
InChIInChI=1S/C7H8ClNO4S2/c1-9-15(11,12)6-4(8)3-14-5(6)7(10)13-2/h3,9H,1-2H3
InChIKeySHSWNJAJSISZBX-UHFFFAOYSA-N
XLogP1.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-4-chlorothiophene-2-carboxylate
CID 22139844
methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate
CID 18434811
methyl 3-chloro-4-chlorosulfonylthiophene-2-carboxylate
CID 166081388
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748842
methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794926
methyl 3-[(3-chlorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16832170
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 3,4-dimethoxythiophene-2-carboxylate
CID 167832202
methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
CID 102794851

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate (CID 16639977) is methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate is CNS(=O)(=O)c1c(Cl)csc1C(=O)OC.
What is the InChIKey of methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is SHSWNJAJSISZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S2/c1-9-15(11,12)6-4(8)3-14-5(6)7(10)13-2/h3,9H,1-2H3.
What are the key properties of methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate?
methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 269.73 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 16639977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).