N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide

C12H15ClFNO2S — CID 106135235

IUPACN-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)C1)c1cccc(F)c1
InChIInChI=1S/C12H15ClFNO2S/c13-10-5-4-9(6-10)8-15-18(16,17)12-3-1-2-11(14)7-12/h1-3,7,9-10,15H,4-6,8H2
InChIKeyALHKWJBAVCLDCF-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.51
Rot. Bonds4

About N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide

N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 106135235) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
PubChem CID106135235
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)C1)c1cccc(F)c1
InChIInChI=1S/C12H15ClFNO2S/c13-10-5-4-9(6-10)8-15-18(16,17)12-3-1-2-11(14)7-12/h1-3,7,9-10,15H,4-6,8H2
InChIKeyALHKWJBAVCLDCF-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.51
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-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzenesulfonamide
CID 106136048
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66005680
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide (CID 106135235) is N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCC1CCC(Cl)C1)c1cccc(F)c1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is ALHKWJBAVCLDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c13-10-5-4-9(6-10)8-15-18(16,17)12-3-1-2-11(14)7-12/h1-3,7,9-10,15H,4-6,8H2.
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide?
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 291.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106135235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).