6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide

C12H14ClF3N2O2S — CID 60722058

IUPAC6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClF3N2O2S/c13-11-6-5-8(7-17-11)21(19,20)18-10-4-2-1-3-9(10)12(14,15)16/h5-7,9-10,18H,1-4H2
InChIKeyKZLHQUPJELYACC-UHFFFAOYSA-N
MW342.77 g/mol
LogP3.13
Rot. Bonds3

About 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide

6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide (PubChem CID 60722058) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
PubChem CID60722058
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC Name6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClF3N2O2S/c13-11-6-5-8(7-17-11)21(19,20)18-10-4-2-1-3-9(10)12(14,15)16/h5-7,9-10,18H,1-4H2
InChIKeyKZLHQUPJELYACC-UHFFFAOYSA-N
XLogP3.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 53.13
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

6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
CID 80601602
6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
CID 103765722
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162
2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
CID 167746137
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide
CID 106441981
6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide
CID 61051190

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide (CID 60722058) is 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide is O=S(=O)(NC1CCCCC1C(F)(F)F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide?
The InChIKey is KZLHQUPJELYACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-11-6-5-8(7-17-11)21(19,20)18-10-4-2-1-3-9(10)12(14,15)16/h5-7,9-10,18H,1-4H2.
What are the key properties of 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide has a molecular weight of 342.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 60722058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).