N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H19ClFNO2S — CID 107329314

IUPACN-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCCC1Cl
InChIInChI=1S/C14H19ClFNO2S/c1-9-7-11(16)8-10(2)14(9)20(18,19)17-13-6-4-3-5-12(13)15/h7-8,12-13,17H,3-6H2,1-2H3
InChIKeyKBNSIXUQBZHXBG-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.27
Rot. Bonds3

About N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107329314) has the molecular formula C14H19ClFNO2S and a molecular weight of 319.83 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107329314
Molecular FormulaC14H19ClFNO2S
Molecular Weight319.83 g/mol
Exact Mass319.08
IUPAC NameN-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCCC1Cl
InChIInChI=1S/C14H19ClFNO2S/c1-9-7-11(16)8-10(2)14(9)20(18,19)17-13-6-4-3-5-12(13)15/h7-8,12-13,17H,3-6H2,1-2H3
InChIKeyKBNSIXUQBZHXBG-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-(4-chloro-1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328222
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 107327667
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
N-(2,6-dimethylpiperidin-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327615
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
4-amino-2,6-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107329314) is N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is KBNSIXUQBZHXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2S/c1-9-7-11(16)8-10(2)14(9)20(18,19)17-13-6-4-3-5-12(13)15/h7-8,12-13,17H,3-6H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 319.83 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107329314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).