ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate

C9H11ClO4S2 — CID 18434703

IUPACethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
SMILESCCOC(=O)c1scc(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S2/c1-3-6-5-15-7(9(11)14-4-2)8(6)16(10,12)13/h5H,3-4H2,1-2H3
InChIKeyCOUFSOOKANIETB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.41
Rot. Bonds4

About ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate

ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate (PubChem CID 18434703) has the molecular formula C9H11ClO4S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
PubChem CID18434703
Molecular FormulaC9H11ClO4S2
Molecular Weight282.77 g/mol
Exact Mass281.98
IUPAC Nameethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate
SMILESCCOC(=O)c1scc(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C9H11ClO4S2/c1-3-6-5-15-7(9(11)14-4-2)8(6)16(10,12)13/h5H,3-4H2,1-2H3
InChIKeyCOUFSOOKANIETB-UHFFFAOYSA-N
XLogP2.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-3-sulfamoylthiophene-2-carboxylate
CID 18434656
propyl 3-chlorosulfonyl-4-fluorothiophene-2-carboxylate
CID 18434630
ethyl 3-chlorosulfonyl-4,5-dimethylthiophene-2-carboxylate
CID 166081846
ethyl 3-sulfamoyl-4-(trifluoromethyl)thiophene-2-carboxylate
CID 18434574
propyl 3-chlorosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate
CID 18434638
ethyl 3-iodo-4-methylthiophene-2-carboxylate
CID 131132175
methyl 3-chlorosulfonyl-4-methoxythiophene-2-carboxylate
CID 18434811
ethyl 3-methoxy-4-methylthiophene-2-carboxylate
CID 70658420
ethyl 3-chloro-2-chlorosulfonylbenzoate
CID 18434594
ethyl 3-methyl-4-nitrothiophene-2-carboxylate
CID 126513012
ethyl 2-chlorosulfonyl-3-methoxybenzoate
CID 18434753
ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 42584805

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate (CID 18434703) is ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate is CCOC(=O)c1scc(CC)c1S(=O)(=O)Cl.
What is the InChIKey of ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate?
The InChIKey is COUFSOOKANIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO4S2/c1-3-6-5-15-7(9(11)14-4-2)8(6)16(10,12)13/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate?
ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate has a molecular weight of 282.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chlorosulfonyl-4-ethylthiophene-2-carboxylate is sourced from PubChem (CID 18434703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).