N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide

C12H8ClF3N2O4S — CID 86582362

IUPACN-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)cc1O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O4S/c13-7-4-10(19)11(17-6-7)18-23(20,21)9-3-1-2-8(5-9)22-12(14,15)16/h1-6,19H,(H,17,18)
InChIKeyYATWWTFACOPYAD-UHFFFAOYSA-N
MW368.72 g/mol
LogP3.14
Rot. Bonds4

About N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide

N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 86582362) has the molecular formula C12H8ClF3N2O4S and a molecular weight of 368.72 g/mol. Its IUPAC name is N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID86582362
Molecular FormulaC12H8ClF3N2O4S
Molecular Weight368.72 g/mol
Exact Mass367.98
IUPAC NameN-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)cc1O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O4S/c13-7-4-10(19)11(17-6-7)18-23(20,21)9-3-1-2-8(5-9)22-12(14,15)16/h1-6,19H,(H,17,18)
InChIKeyYATWWTFACOPYAD-UHFFFAOYSA-N
XLogP3.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.72
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 135379015
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide
CID 86581034
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide (CID 86582362) is N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ncc(Cl)cc1O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YATWWTFACOPYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O4S/c13-7-4-10(19)11(17-6-7)18-23(20,21)9-3-1-2-8(5-9)22-12(14,15)16/h1-6,19H,(H,17,18).
What are the key properties of N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 368.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 86582362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).