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

C19H13ClFN3O3S — CID 118009902

IUPAC4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(Cl)c1
InChIInChI=1S/C19H13ClFN3O3S/c1-12-2-5-18(16(20)8-12)27-17-6-4-15(9-13(17)10-22)28(25,26)24-19-7-3-14(21)11-23-19/h2-9,11H,1H3,(H,23,24)
InChIKeyCNRYZWSAFRMCHI-UHFFFAOYSA-N
MW417.85 g/mol
LogP4.65
Rot. Bonds5

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

4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 118009902) has the molecular formula C19H13ClFN3O3S and a molecular weight of 417.85 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID118009902
Molecular FormulaC19H13ClFN3O3S
Molecular Weight417.85 g/mol
Exact Mass417.04
IUPAC Name4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(Cl)c1
InChIInChI=1S/C19H13ClFN3O3S/c1-12-2-5-18(16(20)8-12)27-17-6-4-15(9-13(17)10-22)28(25,26)24-19-7-3-14(21)11-23-19/h2-9,11H,1H3,(H,23,24)
InChIKeyCNRYZWSAFRMCHI-UHFFFAOYSA-N
XLogP4.65
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 118009902) is 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is CNRYZWSAFRMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O3S/c1-12-2-5-18(16(20)8-12)27-17-6-4-15(9-13(17)10-22)28(25,26)24-19-7-3-14(21)11-23-19/h2-9,11H,1H3,(H,23,24).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 417.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 118009902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).