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

C11H8ClFN2O2S — CID 2169091

IUPACN-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O2S/c12-11-10(2-1-7-14-11)15-18(16,17)9-5-3-8(13)4-6-9/h1-7,15H
InChIKeyPIPQTVJDIAFCQT-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.67
Rot. Bonds3

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

N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 2169091) has the molecular formula C11H8ClFN2O2S and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID2169091
Molecular FormulaC11H8ClFN2O2S
Molecular Weight286.72 g/mol
Exact Mass286.00
IUPAC NameN-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O2S/c12-11-10(2-1-7-14-11)15-18(16,17)9-5-3-8(13)4-6-9/h1-7,15H
InChIKeyPIPQTVJDIAFCQT-UHFFFAOYSA-N
XLogP2.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.67
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-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
CID 43237867
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608268
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
N-(2-chloro-3-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 16562517
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 2169091) is N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is PIPQTVJDIAFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S/c12-11-10(2-1-7-14-11)15-18(16,17)9-5-3-8(13)4-6-9/h1-7,15H.
What are the key properties of N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 286.72 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2169091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).