methyl 5-chlorosulfonylthiophene-3-carboxylate

C6H5ClO4S2 — CID 43414198

IUPACmethyl 5-chlorosulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H5ClO4S2/c1-11-6(8)4-2-5(12-3-4)13(7,9)10/h2-3H,1H3
InChIKeyIRUQLKHEXLBHKZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.46
Rot. Bonds2

About methyl 5-chlorosulfonylthiophene-3-carboxylate

methyl 5-chlorosulfonylthiophene-3-carboxylate (PubChem CID 43414198) has the molecular formula C6H5ClO4S2 and a molecular weight of 240.69 g/mol. Its IUPAC name is methyl 5-chlorosulfonylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chlorosulfonylthiophene-3-carboxylate
PubChem CID43414198
Molecular FormulaC6H5ClO4S2
Molecular Weight240.69 g/mol
Exact Mass239.93
IUPAC Namemethyl 5-chlorosulfonylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H5ClO4S2/c1-11-6(8)4-2-5(12-3-4)13(7,9)10/h2-3H,1H3
InChIKeyIRUQLKHEXLBHKZ-UHFFFAOYSA-N
XLogP1.46
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropoxy)ethyl 5-chlorosulfonylthiophene-3-carboxylate
CID 106450848
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127
2-methylpentyl 5-chlorosulfonylthiophene-3-carboxylate
CID 103286114
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79357188
(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate
CID 65374319
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
4-(dibutylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65370094
methyl 4-(5-chlorosulfonylthiophen-2-yl)benzoate
CID 22998471
methyl 5-(iodomethyl)thiophene-3-carboxylate
CID 163369984

Frequently Asked Questions

What is the IUPAC name of methyl 5-chlorosulfonylthiophene-3-carboxylate?
The IUPAC name of methyl 5-chlorosulfonylthiophene-3-carboxylate (CID 43414198) is methyl 5-chlorosulfonylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-chlorosulfonylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-chlorosulfonylthiophene-3-carboxylate is COC(=O)c1csc(S(=O)(=O)Cl)c1.
What is the InChIKey of methyl 5-chlorosulfonylthiophene-3-carboxylate?
The InChIKey is IRUQLKHEXLBHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO4S2/c1-11-6(8)4-2-5(12-3-4)13(7,9)10/h2-3H,1H3.
What are the key properties of methyl 5-chlorosulfonylthiophene-3-carboxylate?
methyl 5-chlorosulfonylthiophene-3-carboxylate has a molecular weight of 240.69 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chlorosulfonylthiophene-3-carboxylate is sourced from PubChem (CID 43414198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).