sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine

C18H15ClFN2NaO2S — CID 88525558

IUPACsodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.Fc1ccccc1-c1ccccn1.[Na+]
InChIInChI=1S/C11H8FN.C7H7ClNO2S.Na/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-6-2-4-7(5-3-6)12(10,11)9-8;/h1-8H;2-5H,1H3;/q;-1;+1
InChIKeyGITJQCUHVWXHAH-UHFFFAOYSA-N
MW400.84 g/mol
LogP2.10
Rot. Bonds3

About sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine

sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine (PubChem CID 88525558) has the molecular formula C18H15ClFN2NaO2S and a molecular weight of 400.84 g/mol. Its IUPAC name is sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine.

Molecular Properties

Compound Namesodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine
PubChem CID88525558
Molecular FormulaC18H15ClFN2NaO2S
Molecular Weight400.84 g/mol
Exact Mass400.04
IUPAC Namesodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.Fc1ccccc1-c1ccccn1.[Na+]
InChIInChI=1S/C11H8FN.C7H7ClNO2S.Na/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-6-2-4-7(5-3-6)12(10,11)9-8;/h1-8H;2-5H,1H3;/q;-1;+1
InChIKeyGITJQCUHVWXHAH-UHFFFAOYSA-N
XLogP2.10
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine?
The IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine (CID 88525558) is sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine.
What is the SMILES notation for sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine?
The canonical SMILES for sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine is Cc1ccc(S(=O)(=O)[N-]Cl)cc1.Fc1ccccc1-c1ccccn1.[Na+].
What is the InChIKey of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine?
The InChIKey is GITJQCUHVWXHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN.C7H7ClNO2S.Na/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-6-2-4-7(5-3-6)12(10,11)9-8;/h1-8H;2-5H,1H3;/q;-1;+1.
What are the key properties of sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine?
sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine has a molecular weight of 400.84 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro-(4-methylphenyl)sulfonylazanide;2-(2-fluorophenyl)pyridine is sourced from PubChem (CID 88525558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).