N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide

C11H7BrClFN2O2S — CID 113255256

IUPACN-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Cl)nc1
InChIInChI=1S/C11H7BrClFN2O2S/c12-9-3-1-7(14)5-10(9)16-19(17,18)8-2-4-11(13)15-6-8/h1-6,16H
InChIKeyPDDPJOCCDKRAPS-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.44
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide

N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide (PubChem CID 113255256) has the molecular formula C11H7BrClFN2O2S and a molecular weight of 365.61 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
PubChem CID113255256
Molecular FormulaC11H7BrClFN2O2S
Molecular Weight365.61 g/mol
Exact Mass363.91
IUPAC NameN-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Cl)nc1
InChIInChI=1S/C11H7BrClFN2O2S/c12-9-3-1-7(14)5-10(9)16-19(17,18)8-2-4-11(13)15-6-8/h1-6,16H
InChIKeyPDDPJOCCDKRAPS-UHFFFAOYSA-N
XLogP3.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.44
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-(2-bromo-5-fluorophenyl)-6-nitropyridine-3-sulfonamide
CID 107640867
6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61045709
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107640855
N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
6-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 82890177
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-(2-bromo-4-fluorophenyl)-2-chloropyridine-4-sulfonamide
CID 54895435
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 79048643

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide (CID 113255256) is N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide is O=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Cl)nc1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide?
The InChIKey is PDDPJOCCDKRAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O2S/c12-9-3-1-7(14)5-10(9)16-19(17,18)8-2-4-11(13)15-6-8/h1-6,16H.
What are the key properties of N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide?
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide has a molecular weight of 365.61 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 113255256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).