2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide

C17H11ClN2O2S2 — CID 24662940

IUPAC2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1cccnc1Cl
InChIInChI=1S/C17H11ClN2O2S2/c18-17-16(7-2-10-19-17)24(21,22)20-14-5-1-4-13(12-14)8-9-15-6-3-11-23-15/h1-7,10-12,20H
InChIKeyHWYJULHXFPMPBZ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide

2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide (PubChem CID 24662940) has the molecular formula C17H11ClN2O2S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide
PubChem CID24662940
Molecular FormulaC17H11ClN2O2S2
Molecular Weight374.87 g/mol
Exact Mass374.00
IUPAC Name2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1cccnc1Cl
InChIInChI=1S/C17H11ClN2O2S2/c18-17-16(7-2-10-19-17)24(21,22)20-14-5-1-4-13(12-14)8-9-15-6-3-11-23-15/h1-7,10-12,20H
InChIKeyHWYJULHXFPMPBZ-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide (CID 24662940) is 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide?
The InChIKey is HWYJULHXFPMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S2/c18-17-16(7-2-10-19-17)24(21,22)20-14-5-1-4-13(12-14)8-9-15-6-3-11-23-15/h1-7,10-12,20H.
What are the key properties of 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide?
2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide has a molecular weight of 374.87 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 24662940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).