N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide

C12H15ClFNO2S — CID 65033519

IUPACN-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(Cl)CC1)c1ccccc1F
InChIInChI=1S/C12H15ClFNO2S/c13-9-5-7-10(8-6-9)15-18(16,17)12-4-2-1-3-11(12)14/h1-4,9-10,15H,5-8H2
InChIKeyZZEXFLYBUNBTMK-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.65
Rot. Bonds3

About N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide

N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide (PubChem CID 65033519) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
PubChem CID65033519
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC NameN-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(Cl)CC1)c1ccccc1F
InChIInChI=1S/C12H15ClFNO2S/c13-9-5-7-10(8-6-9)15-18(16,17)12-4-2-1-3-11(12)14/h1-4,9-10,15H,5-8H2
InChIKeyZZEXFLYBUNBTMK-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.65
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

2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
N-(3-aminocyclopentyl)-2-fluorobenzenesulfonamide
CID 115272790
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 60639849
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
N-cyclopropyl-2-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 63351840
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluorobenzenesulfonamide
CID 43597983
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide (CID 65033519) is N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide is O=S(=O)(NC1CCC(Cl)CC1)c1ccccc1F.
What is the InChIKey of N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide?
The InChIKey is ZZEXFLYBUNBTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c13-9-5-7-10(8-6-9)15-18(16,17)12-4-2-1-3-11(12)14/h1-4,9-10,15H,5-8H2.
What are the key properties of N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide?
N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide has a molecular weight of 291.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 65033519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).