N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

C12H8ClF3N2O2S — CID 3851411

IUPACN-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-5-4-9(7-17-11)18-21(19,20)10-3-1-2-8(6-10)12(14,15)16/h1-7,18H
InChIKeyPWNTVZUIRHJALA-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.55
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3851411) has the molecular formula C12H8ClF3N2O2S and a molecular weight of 336.72 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3851411
Molecular FormulaC12H8ClF3N2O2S
Molecular Weight336.72 g/mol
Exact Mass335.99
IUPAC NameN-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2S/c13-11-5-4-9(7-17-11)18-21(19,20)10-3-1-2-8(6-10)12(14,15)16/h1-7,18H
InChIKeyPWNTVZUIRHJALA-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

N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844123
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2824424
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122354626

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3851411) is N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PWNTVZUIRHJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2S/c13-11-5-4-9(7-17-11)18-21(19,20)10-3-1-2-8(6-10)12(14,15)16/h1-7,18H.
What are the key properties of N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(6-chloro-3-pyridinyl)-3-(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-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3851411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).