3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide

C11H8ClFN2O2S — CID 110872403

IUPAC3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClFN2O2S/c12-8-2-1-3-11(4-8)18(16,17)15-10-5-9(13)6-14-7-10/h1-7,15H
InChIKeySRZYILHAHSYSEG-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.67
Rot. Bonds3

About 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide

3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide (PubChem CID 110872403) has the molecular formula C11H8ClFN2O2S and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
PubChem CID110872403
Molecular FormulaC11H8ClFN2O2S
Molecular Weight286.72 g/mol
Exact Mass286.00
IUPAC Name3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClFN2O2S/c12-8-2-1-3-11(4-8)18(16,17)15-10-5-9(13)6-14-7-10/h1-7,15H
InChIKeySRZYILHAHSYSEG-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

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Related Compounds

N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
CID 110872378
N-(5-fluoro-3-pyridinyl)-3-nitrobenzenesulfonamide
CID 110872405
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
3-chloro-N-[4-(3,4-difluoroanilino)phenyl]benzenesulfonamide
CID 112990324
N-(4-bromo-3-fluorophenyl)-3-chlorobenzenesulfonamide
CID 65430879
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872393

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide (CID 110872403) is 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cncc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide?
The InChIKey is SRZYILHAHSYSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S/c12-8-2-1-3-11(4-8)18(16,17)15-10-5-9(13)6-14-7-10/h1-7,15H.
What are the key properties of 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide?
3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide 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 3-chloro-N-(5-fluoro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110872403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).