N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide

C12H14ClF2NO2S — CID 65032633

IUPACN-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Cl)c1cc(F)ccc1F
InChIInChI=1S/C12H14ClF2NO2S/c13-9-3-1-2-4-11(9)16-19(17,18)12-7-8(14)5-6-10(12)15/h5-7,9,11,16H,1-4H2
InChIKeyKUBWDNMGJYDUAI-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.79
Rot. Bonds3

About N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide

N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide (PubChem CID 65032633) has the molecular formula C12H14ClF2NO2S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
PubChem CID65032633
Molecular FormulaC12H14ClF2NO2S
Molecular Weight309.77 g/mol
Exact Mass309.04
IUPAC NameN-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Cl)c1cc(F)ccc1F
InChIInChI=1S/C12H14ClF2NO2S/c13-9-3-1-2-4-11(9)16-19(17,18)12-7-8(14)5-6-10(12)15/h5-7,9,11,16H,1-4H2
InChIKeyKUBWDNMGJYDUAI-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.79
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-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(2-chlorocyclohexyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 106441960
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
N-(2-chlorocyclohexyl)-2-nitrobenzenesulfonamide
CID 106441995
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide (CID 65032633) is N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide is O=S(=O)(NC1CCCCC1Cl)c1cc(F)ccc1F.
What is the InChIKey of N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is KUBWDNMGJYDUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2S/c13-9-3-1-2-4-11(9)16-19(17,18)12-7-8(14)5-6-10(12)15/h5-7,9,11,16H,1-4H2.
What are the key properties of N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide?
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 65032633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).