N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

C12H9BrClFN2O2S — CID 104826706

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-4-8(15)2-3-11(7)20(18,19)17-9-5-10(13)12(14)16-6-9/h2-6,17H,1H3
InChIKeyQOCHPGJVYGYIRC-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.75
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 104826706) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID104826706
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-4-8(15)2-3-11(7)20(18,19)17-9-5-10(13)12(14)16-6-9/h2-6,17H,1H3
InChIKeyQOCHPGJVYGYIRC-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

N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 104826712
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (CID 104826706) is N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QOCHPGJVYGYIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c1-7-4-8(15)2-3-11(7)20(18,19)17-9-5-10(13)12(14)16-6-9/h2-6,17H,1H3.
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide 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 N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 104826706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).