methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate

C13H7Cl2NO4S2 — CID 58189520

IUPACmethyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Cl)c1sc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C13H7Cl2NO4S2/c1-20-13(17)7-4-2-3-6-8-5-9(22(15,18)19)21-11(8)12(14)16-10(6)7/h2-5H,1H3
InChIKeyWKXBHGIXKLXAKA-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.82
Rot. Bonds2

About methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate

methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate (PubChem CID 58189520) has the molecular formula C13H7Cl2NO4S2 and a molecular weight of 376.24 g/mol. Its IUPAC name is methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate
PubChem CID58189520
Molecular FormulaC13H7Cl2NO4S2
Molecular Weight376.24 g/mol
Exact Mass374.92
IUPAC Namemethyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate
SMILESCOC(=O)c1cccc2c1nc(Cl)c1sc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C13H7Cl2NO4S2/c1-20-13(17)7-4-2-3-6-8-5-9(22(15,18)19)21-11(8)12(14)16-10(6)7/h2-5H,1H3
InChIKeyWKXBHGIXKLXAKA-UHFFFAOYSA-N
XLogP3.82
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate?
The IUPAC name of methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate (CID 58189520) is methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate?
The canonical SMILES for methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate is COC(=O)c1cccc2c1nc(Cl)c1sc(S(=O)(=O)Cl)cc12.
What is the InChIKey of methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate?
The InChIKey is WKXBHGIXKLXAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO4S2/c1-20-13(17)7-4-2-3-6-8-5-9(22(15,18)19)21-11(8)12(14)16-10(6)7/h2-5H,1H3.
What are the key properties of methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate?
methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate has a molecular weight of 376.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-chlorosulfonylthieno[2,3-c]quinoline-6-carboxylate is sourced from PubChem (CID 58189520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).