2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide

C12H9BrClFN2O2S — CID 65490489

IUPAC2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)10-3-2-8(15)6-9(10)13/h2-6,17H,1H3
InChIKeyNLKCXPHSIWBFLV-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.75
Rot. Bonds3

About 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide

2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 65490489) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID65490489
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC Name2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESCc1ccnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)10-3-2-8(15)6-9(10)13/h2-6,17H,1H3
InChIKeyNLKCXPHSIWBFLV-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65489469
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 118302673
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 65490489) is 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide is Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is NLKCXPHSIWBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c1-7-4-5-16-12(14)11(7)17-20(18,19)10-3-2-8(15)6-9(10)13/h2-6,17H,1H3.
What are the key properties of 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide?
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 65490489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).