N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

C12H8ClF3N2O2S — CID 103944025

IUPACN-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-7-9(5-6-17-11)18-21(19,20)10-3-1-8(2-4-10)12(14,15)16/h1-7H,(H,17,18)
InChIKeyVJKBQJBASPUICX-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.55
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 103944025) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID103944025
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC NameN-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-7-9(5-6-17-11)18-21(19,20)10-3-1-8(2-4-10)12(14,15)16/h1-7H,(H,17,18)
InChIKeyVJKBQJBASPUICX-UHFFFAOYSA-N
XLogP3.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 53.55
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

2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 86785423
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 39833676
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (CID 103944025) is N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccnc(Cl)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VJKBQJBASPUICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-11-7-9(5-6-17-11)18-21(19,20)10-3-1-8(2-4-10)12(14,15)16/h1-7H,(H,17,18).
What are the key properties of N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 336.72 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 103944025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).