2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide

C14H20ClNO2S — CID 114264422

IUPAC2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccccc2CCl)C1
InChIInChI=1S/C14H20ClNO2S/c1-14(2)8-7-12(9-14)16-19(17,18)13-6-4-3-5-11(13)10-15/h3-6,12,16H,7-10H2,1-2H3
InChIKeyGPIFKKHDDNZVAU-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.28
Rot. Bonds4

About 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide

2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide (PubChem CID 114264422) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
PubChem CID114264422
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2ccccc2CCl)C1
InChIInChI=1S/C14H20ClNO2S/c1-14(2)8-7-12(9-14)16-19(17,18)13-6-4-3-5-11(13)10-15/h3-6,12,16H,7-10H2,1-2H3
InChIKeyGPIFKKHDDNZVAU-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.28
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-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 115881064
2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 114264300
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 102921092
2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 80705108
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
[(3,3-dimethylcyclopentyl)sulfamoyl-methylamino]methylbenzene
CID 115881162
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide (CID 114264422) is 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide is CC1(C)CCC(NS(=O)(=O)c2ccccc2CCl)C1.
What is the InChIKey of 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
The InChIKey is GPIFKKHDDNZVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-14(2)8-7-12(9-14)16-19(17,18)13-6-4-3-5-11(13)10-15/h3-6,12,16H,7-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide?
2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide has a molecular weight of 301.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(3,3-dimethylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114264422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).