N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide

C13H17BrFNO2S — CID 106367656

IUPACN-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CBr)c1ccc(F)cc1
InChIInChI=1S/C13H17BrFNO2S/c14-9-10-3-1-2-4-13(10)16-19(17,18)12-7-5-11(15)6-8-12/h5-8,10,13,16H,1-4,9H2
InChIKeyYWVPZWJEWUUPLD-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide

N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide (PubChem CID 106367656) has the molecular formula C13H17BrFNO2S and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
PubChem CID106367656
Molecular FormulaC13H17BrFNO2S
Molecular Weight350.25 g/mol
Exact Mass349.01
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CBr)c1ccc(F)cc1
InChIInChI=1S/C13H17BrFNO2S/c14-9-10-3-1-2-4-13(10)16-19(17,18)12-7-5-11(15)6-8-12/h5-8,10,13,16H,1-4,9H2
InChIKeyYWVPZWJEWUUPLD-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.06
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

4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
CID 106367483
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[2-(bromomethyl)cyclohexyl]-3,5-dichlorobenzenesulfonamide
CID 106367660
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119985454
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide (CID 106367656) is N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide is O=S(=O)(NC1CCCCC1CBr)c1ccc(F)cc1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide?
The InChIKey is YWVPZWJEWUUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2S/c14-9-10-3-1-2-4-13(10)16-19(17,18)12-7-5-11(15)6-8-12/h5-8,10,13,16H,1-4,9H2.
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide?
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide has a molecular weight of 350.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106367656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).