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

C11H7BrClFN2O2S — CID 103709774

IUPAC4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H7BrClFN2O2S/c12-8-4-3-7(6-9(8)14)19(17,18)16-10-2-1-5-15-11(10)13/h1-6,16H
InChIKeyHKWNGYLBMLNVHT-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.44
Rot. Bonds3

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

4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide (PubChem CID 103709774) has the molecular formula C11H7BrClFN2O2S and a molecular weight of 365.61 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
PubChem CID103709774
Molecular FormulaC11H7BrClFN2O2S
Molecular Weight365.61 g/mol
Exact Mass363.91
IUPAC Name4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H7BrClFN2O2S/c12-8-4-3-7(6-9(8)14)19(17,18)16-10-2-1-5-15-11(10)13/h1-6,16H
InChIKeyHKWNGYLBMLNVHT-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

4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide (CID 103709774) is 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The InChIKey is HKWNGYLBMLNVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O2S/c12-8-4-3-7(6-9(8)14)19(17,18)16-10-2-1-5-15-11(10)13/h1-6,16H.
What are the key properties of 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide 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 4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103709774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).