methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate

C6H4Cl2O4S2 — CID 10869516

IUPACmethyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H4Cl2O4S2/c1-12-6(9)5-3(14(8,10)11)2-4(7)13-5/h2H,1H3
InChIKeyGDKPWFMFFKPATJ-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.12
Rot. Bonds2

About methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate

methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate (PubChem CID 10869516) has the molecular formula C6H4Cl2O4S2 and a molecular weight of 275.13 g/mol. Its IUPAC name is methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate
PubChem CID10869516
Molecular FormulaC6H4Cl2O4S2
Molecular Weight275.13 g/mol
Exact Mass273.89
IUPAC Namemethyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H4Cl2O4S2/c1-12-6(9)5-3(14(8,10)11)2-4(7)13-5/h2H,1H3
InChIKeyGDKPWFMFFKPATJ-UHFFFAOYSA-N
XLogP2.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-chlorothiophene-2-carboxylate
CID 2777566
2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
CID 2736733
Ethyl 5-chlorothiophene-2-carboxylate
CID 521808
Methyl 5-chlorothiophene-2-carboxylate
CID 589473
Methyl 4-(isopropylsulfonyl)-5-(methylsulfinyl)thiophene-2-carboxylate
CID 536451
5-Chloro-3-sulfamoylthiophene-2-carboxylic acid
CID 25219388
3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid methyl ester
CID 2778643
Methyl 5-(chlorosulfonyl)thiophene-2-carboxylate
CID 13425717
Methyl 4-(chlorosulfonyl)-2-thiophenecarboxylate
CID 13425718
Methyl 5-chloro-3-(((2-methoxy-2-oxoethyl)amino)sulfonyl)-2-thiophenecarboxylate
CID 16646085
5-Chloro-3-sulfinothiophene-2-carboxylic acid
CID 17888047
Methyl 4-(chlorosulfonyl)-5-methylthiophene-2-carboxylate
CID 84708334

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate (CID 10869516) is methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate is COC(=O)c1sc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate?
The InChIKey is GDKPWFMFFKPATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O4S2/c1-12-6(9)5-3(14(8,10)11)2-4(7)13-5/h2H,1H3.
What are the key properties of methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate?
methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate has a molecular weight of 275.13 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate is sourced from PubChem (CID 10869516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).