4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C19H10ClFN4O3S — CID 118009895

IUPAC4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(Cl)c1
InChIInChI=1S/C19H10ClFN4O3S/c20-16-7-12(9-22)1-4-18(16)28-17-5-3-15(8-13(17)10-23)29(26,27)25-19-6-2-14(21)11-24-19/h1-8,11H,(H,24,25)
InChIKeySOJQETCIROIFPH-UHFFFAOYSA-N
MW428.83 g/mol
LogP4.21
Rot. Bonds5

About 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 118009895) has the molecular formula C19H10ClFN4O3S and a molecular weight of 428.83 g/mol. Its IUPAC name is 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID118009895
Molecular FormulaC19H10ClFN4O3S
Molecular Weight428.83 g/mol
Exact Mass428.01
IUPAC Name4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(Cl)c1
InChIInChI=1S/C19H10ClFN4O3S/c20-16-7-12(9-22)1-4-18(16)28-17-5-3-15(8-13(17)10-23)29(26,27)25-19-6-2-14(21)11-24-19/h1-8,11H,(H,24,25)
InChIKeySOJQETCIROIFPH-UHFFFAOYSA-N
XLogP4.21
TPSA115.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 118009895) is 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is SOJQETCIROIFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN4O3S/c20-16-7-12(9-22)1-4-18(16)28-17-5-3-15(8-13(17)10-23)29(26,27)25-19-6-2-14(21)11-24-19/h1-8,11H,(H,24,25).
What are the key properties of 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 428.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-cyanophenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 118009895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).