N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide

C19H14FN3O3S — CID 23217944

IUPACN-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C19H14FN3O3S/c1-26-19-14(12-21)11-17(18(22-19)13-7-9-15(20)10-8-13)23-27(24,25)16-5-3-2-4-6-16/h2-11,23H,1H3
InChIKeyVRIWFRMLWKHRCO-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.57
Rot. Bonds5

About N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide

N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 23217944) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID23217944
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC NameN-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N
InChIInChI=1S/C19H14FN3O3S/c1-26-19-14(12-21)11-17(18(22-19)13-7-9-15(20)10-8-13)23-27(24,25)16-5-3-2-4-6-16/h2-11,23H,1H3
InChIKeyVRIWFRMLWKHRCO-UHFFFAOYSA-N
XLogP3.57
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide (CID 23217944) is N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide is COc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N.
What is the InChIKey of N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is VRIWFRMLWKHRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-26-19-14(12-21)11-17(18(22-19)13-7-9-15(20)10-8-13)23-27(24,25)16-5-3-2-4-6-16/h2-11,23H,1H3.
What are the key properties of N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 383.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(4-fluorophenyl)-6-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).