2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide

C19H15ClFN3O3S — CID 175791411

IUPAC2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2ccc(Cl)nc2)cc1F
InChIInChI=1S/C19H15ClFN3O3S/c20-17-7-6-13(10-24-17)19-14(2-1-3-16(19)28(23,26)27)11-4-5-12(9-18(22)25)15(21)8-11/h1-8,10H,9H2,(H2,22,25)(H2,23,26,27)
InChIKeyIUYACJXZPWJBDP-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.88
Rot. Bonds5

About 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide

2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide (PubChem CID 175791411) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide
PubChem CID175791411
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2ccc(Cl)nc2)cc1F
InChIInChI=1S/C19H15ClFN3O3S/c20-17-7-6-13(10-24-17)19-14(2-1-3-16(19)28(23,26)27)11-4-5-12(9-18(22)25)15(21)8-11/h1-8,10H,9H2,(H2,22,25)(H2,23,26,27)
InChIKeyIUYACJXZPWJBDP-UHFFFAOYSA-N
XLogP2.88
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide?
The IUPAC name of 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide (CID 175791411) is 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide?
The canonical SMILES for 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide is NC(=O)Cc1ccc(-c2cccc(S(N)(=O)=O)c2-c2ccc(Cl)nc2)cc1F.
What is the InChIKey of 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide?
The InChIKey is IUYACJXZPWJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c20-17-7-6-13(10-24-17)19-14(2-1-3-16(19)28(23,26)27)11-4-5-12(9-18(22)25)15(21)8-11/h1-8,10H,9H2,(H2,22,25)(H2,23,26,27).
What are the key properties of 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide?
2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide has a molecular weight of 419.87 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-chloro-3-pyridinyl)-3-sulfamoylphenyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 175791411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).