N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide

C13H17ClFNO2S — CID 113395199

IUPACN-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1Cl)c1cccc(F)c1
InChIInChI=1S/C13H17ClFNO2S/c14-12-7-2-1-3-8-13(12)16-19(17,18)11-6-4-5-10(15)9-11/h4-6,9,12-13,16H,1-3,7-8H2
InChIKeyMACCEMIOLJCUFW-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.04
Rot. Bonds3

About N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide

N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide (PubChem CID 113395199) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
PubChem CID113395199
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC NameN-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1Cl)c1cccc(F)c1
InChIInChI=1S/C13H17ClFNO2S/c14-12-7-2-1-3-8-13(12)16-19(17,18)11-6-4-5-10(15)9-11/h4-6,9,12-13,16H,1-3,7-8H2
InChIKeyMACCEMIOLJCUFW-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.04
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-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
CID 106367483
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]benzenesulfonamide
CID 110127873
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
N-(3-chloro-2,2-dimethylcyclobutyl)-3-fluorobenzenesulfonamide
CID 114632190

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide (CID 113395199) is N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide is O=S(=O)(NC1CCCCCC1Cl)c1cccc(F)c1.
What is the InChIKey of N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide?
The InChIKey is MACCEMIOLJCUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c14-12-7-2-1-3-8-13(12)16-19(17,18)11-6-4-5-10(15)9-11/h4-6,9,12-13,16H,1-3,7-8H2.
What are the key properties of N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide?
N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide has a molecular weight of 305.80 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 113395199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).