4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide

C19H14FN3O2S — CID 71579775

IUPAC4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)ccc1F
InChIInChI=1S/C19H14FN3O2S/c1-13-18(20)10-11-19(22-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-21)3-5-15/h2-11H,1H3,(H,22,23)
InChIKeyUWNYAFXSMIWCBL-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.87
Rot. Bonds4

About 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide

4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 71579775) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID71579775
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)ccc1F
InChIInChI=1S/C19H14FN3O2S/c1-13-18(20)10-11-19(22-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-21)3-5-15/h2-11H,1H3,(H,22,23)
InChIKeyUWNYAFXSMIWCBL-UHFFFAOYSA-N
XLogP3.87
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide (CID 71579775) is 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)ccc1F.
What is the InChIKey of 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is UWNYAFXSMIWCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-13-18(20)10-11-19(22-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-21)3-5-15/h2-11H,1H3,(H,22,23).
What are the key properties of 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide?
4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 367.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(5-fluoro-6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71579775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).