5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide

C14H10ClFN2O3S — CID 138676213

IUPAC5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F
InChIInChI=1S/C14H10ClFN2O3S/c1-3-9-5-4-6-11(13(9)16)18-22(19,20)12-7-10(15)8-17-14(12)21-2/h1,4-8,18H,2H3
InChIKeyNNZYSAPACQTMIH-UHFFFAOYSA-N
MW340.76 g/mol
LogP2.66
Rot. Bonds4

About 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide

5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide (PubChem CID 138676213) has the molecular formula C14H10ClFN2O3S and a molecular weight of 340.76 g/mol. Its IUPAC name is 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
PubChem CID138676213
Molecular FormulaC14H10ClFN2O3S
Molecular Weight340.76 g/mol
Exact Mass340.01
IUPAC Name5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F
InChIInChI=1S/C14H10ClFN2O3S/c1-3-9-5-4-6-11(13(9)16)18-22(19,20)12-7-10(15)8-17-14(12)21-2/h1,4-8,18H,2H3
InChIKeyNNZYSAPACQTMIH-UHFFFAOYSA-N
XLogP2.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide (CID 138676213) is 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide is C#Cc1cccc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F.
What is the InChIKey of 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide?
The InChIKey is NNZYSAPACQTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3S/c1-3-9-5-4-6-11(13(9)16)18-22(19,20)12-7-10(15)8-17-14(12)21-2/h1,4-8,18H,2H3.
What are the key properties of 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide?
5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide has a molecular weight of 340.76 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethynyl-2-fluorophenyl)-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 138676213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).