5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide

C14H9ClF2N2O3S — CID 138675864

IUPAC5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
SMILESC#Cc1c(F)ccc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F
InChIInChI=1S/C14H9ClF2N2O3S/c1-3-9-10(16)4-5-11(13(9)17)19-23(20,21)12-6-8(15)7-18-14(12)22-2/h1,4-7,19H,2H3
InChIKeyCYWQLTIWDFLMER-UHFFFAOYSA-N
MW358.75 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide

5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide (PubChem CID 138675864) has the molecular formula C14H9ClF2N2O3S and a molecular weight of 358.75 g/mol. Its IUPAC name is 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
PubChem CID138675864
Molecular FormulaC14H9ClF2N2O3S
Molecular Weight358.75 g/mol
Exact Mass358.00
IUPAC Name5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
SMILESC#Cc1c(F)ccc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F
InChIInChI=1S/C14H9ClF2N2O3S/c1-3-9-10(16)4-5-11(13(9)17)19-23(20,21)12-6-8(15)7-18-14(12)22-2/h1,4-7,19H,2H3
InChIKeyCYWQLTIWDFLMER-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 52.80
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-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide (CID 138675864) is 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide is C#Cc1c(F)ccc(NS(=O)(=O)c2cc(Cl)cnc2OC)c1F.
What is the InChIKey of 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide?
The InChIKey is CYWQLTIWDFLMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O3S/c1-3-9-10(16)4-5-11(13(9)17)19-23(20,21)12-6-8(15)7-18-14(12)22-2/h1,4-7,19H,2H3.
What are the key properties of 5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide?
5-chloro-N-(3-ethynyl-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide has a molecular weight of 358.75 g/mol, XLogP of 2.80, 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-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 138675864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).