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

C12H8ClF3N2O3S — CID 71943479

IUPACN-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H8ClF3N2O3S/c13-11-8(4-3-7-17-11)18-22(19,20)10-6-2-1-5-9(10)21-12(14,15)16/h1-7,18H
InChIKeySTSMCLJYRMSDLA-UHFFFAOYSA-N
MW352.72 g/mol
LogP3.43
Rot. Bonds4

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

N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71943479) has the molecular formula C12H8ClF3N2O3S and a molecular weight of 352.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID71943479
Molecular FormulaC12H8ClF3N2O3S
Molecular Weight352.72 g/mol
Exact Mass351.99
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H8ClF3N2O3S/c13-11-8(4-3-7-17-11)18-22(19,20)10-6-2-1-5-9(10)21-12(14,15)16/h1-7,18H
InChIKeySTSMCLJYRMSDLA-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
CID 3788061
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
N-(3-tert-butyl-2-fluoro-4-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 169074985
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 71943479) is N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is STSMCLJYRMSDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O3S/c13-11-8(4-3-7-17-11)18-22(19,20)10-6-2-1-5-9(10)21-12(14,15)16/h1-7,18H.
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 352.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71943479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).