N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide

C12H15BrFNO2S — CID 113271378

IUPACN-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1cccc(F)c1
InChIInChI=1S/C12H15BrFNO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-3,8-9,11,15H,4-7H2
InChIKeyNQZTWXCCKUHSOI-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.81
Rot. Bonds3

About N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide

N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide (PubChem CID 113271378) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
PubChem CID113271378
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC NameN-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)c1cccc(F)c1
InChIInChI=1S/C12H15BrFNO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-3,8-9,11,15H,4-7H2
InChIKeyNQZTWXCCKUHSOI-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.81
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-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-fluorobenzenesulfonamide
CID 43602916
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
CID 106367483
2-[4-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34267887
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide (CID 113271378) is N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide is O=S(=O)(NC1CCC(Br)CC1)c1cccc(F)c1.
What is the InChIKey of N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide?
The InChIKey is NQZTWXCCKUHSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-3,8-9,11,15H,4-7H2.
What are the key properties of N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide?
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 113271378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).