N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide

C12H8F4N2O3S — CID 122135835

IUPACN-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O3S/c13-10-7-17-5-4-11(10)18-22(19,20)9-3-1-2-8(6-9)21-12(14,15)16/h1-7H,(H,17,18)
InChIKeyCXLOKMJSGPBSDD-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.92
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide

N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 122135835) has the molecular formula C12H8F4N2O3S and a molecular weight of 336.27 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID122135835
Molecular FormulaC12H8F4N2O3S
Molecular Weight336.27 g/mol
Exact Mass336.02
IUPAC NameN-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H8F4N2O3S/c13-10-7-17-5-4-11(10)18-22(19,20)9-3-1-2-8(6-9)21-12(14,15)16/h1-7H,(H,17,18)
InChIKeyCXLOKMJSGPBSDD-UHFFFAOYSA-N
XLogP2.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107595189
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 25484304
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 122135835) is N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccncc1F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CXLOKMJSGPBSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O3S/c13-10-7-17-5-4-11(10)18-22(19,20)9-3-1-2-8(6-9)21-12(14,15)16/h1-7H,(H,17,18).
What are the key properties of N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 336.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 122135835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).