ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

C16H15Cl2N3O5S2 — CID 11561748

IUPACethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O5S2/c1-2-26-16(23)9-5-11(17)14(19-6-9)21-7-10(8-21)15(22)20-28(24,25)13-4-3-12(18)27-13/h3-6,10H,2,7-8H2,1H3,(H,20,22)
InChIKeyNSNYUHLSOAUSPF-UHFFFAOYSA-N
MW464.35 g/mol
LogP2.57
Rot. Bonds6

About ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate (PubChem CID 11561748) has the molecular formula C16H15Cl2N3O5S2 and a molecular weight of 464.35 g/mol. Its IUPAC name is ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate
PubChem CID11561748
Molecular FormulaC16H15Cl2N3O5S2
Molecular Weight464.35 g/mol
Exact Mass462.98
IUPAC Nameethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O5S2/c1-2-26-16(23)9-5-11(17)14(19-6-9)21-7-10(8-21)15(22)20-28(24,25)13-4-3-12(18)27-13/h3-6,10H,2,7-8H2,1H3,(H,20,22)
InChIKeyNSNYUHLSOAUSPF-UHFFFAOYSA-N
XLogP2.57
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate (CID 11561748) is ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cnc(N2CC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)c(Cl)c1.
What is the InChIKey of ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate?
The InChIKey is NSNYUHLSOAUSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O5S2/c1-2-26-16(23)9-5-11(17)14(19-6-9)21-7-10(8-21)15(22)20-28(24,25)13-4-3-12(18)27-13/h3-6,10H,2,7-8H2,1H3,(H,20,22).
What are the key properties of ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate?
ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate has a molecular weight of 464.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 11561748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).