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

C18H11BrFN3O2S — CID 23217976

IUPACN-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1Br
InChIInChI=1S/C18H11BrFN3O2S/c19-18-13(11-21)10-16(17(22-18)12-6-8-14(20)9-7-12)23-26(24,25)15-4-2-1-3-5-15/h1-10,23H
InChIKeyLEGNGBBXHQSLJV-UHFFFAOYSA-N
MW432.27 g/mol
LogP4.32
Rot. Bonds4

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

N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 23217976) has the molecular formula C18H11BrFN3O2S and a molecular weight of 432.27 g/mol. Its IUPAC name is N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID23217976
Molecular FormulaC18H11BrFN3O2S
Molecular Weight432.27 g/mol
Exact Mass430.97
IUPAC NameN-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1Br
InChIInChI=1S/C18H11BrFN3O2S/c19-18-13(11-21)10-16(17(22-18)12-6-8-14(20)9-7-12)23-26(24,25)15-4-2-1-3-5-15/h1-10,23H
InChIKeyLEGNGBBXHQSLJV-UHFFFAOYSA-N
XLogP4.32
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 23217976) is N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1Br.
What is the InChIKey of N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is LEGNGBBXHQSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFN3O2S/c19-18-13(11-21)10-16(17(22-18)12-6-8-14(20)9-7-12)23-26(24,25)15-4-2-1-3-5-15/h1-10,23H.
What are the key properties of N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 432.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).