2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine

C13H17Cl2NO2S — CID 79581118

IUPAC2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c14-10-4-2-5-11(15)13(10)19(17,18)8-7-9-3-1-6-12(9)16/h2,4-5,9,12H,1,3,6-8,16H2
InChIKeyNBOGQGRUPGWMGL-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.28
Rot. Bonds4

About 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine

2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine (PubChem CID 79581118) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine
PubChem CID79581118
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c14-10-4-2-5-11(15)13(10)19(17,18)8-7-9-3-1-6-12(9)16/h2,4-5,9,12H,1,3,6-8,16H2
InChIKeyNBOGQGRUPGWMGL-UHFFFAOYSA-N
XLogP3.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581656
2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581498
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
2-[2-[(2-methylphenyl)methylsulfonyl]ethyl]cyclopentan-1-amine
CID 79581814
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
3-chloro-2-(cyclopentylmethylsulfonyl)aniline
CID 81185150
2-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 103290288
1-cyclohexyl-2-(2,6-dichlorophenyl)sulfonylethanamine
CID 104754082
2-(2,6-dichlorophenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120584113
2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587196
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
2-(benzenesulfonyl)ethanamine;2-(2,6-dichlorophenyl)sulfonylethanamine
CID 158169655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine (CID 79581118) is 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine is NC1CCCC1CCS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine?
The InChIKey is NBOGQGRUPGWMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c14-10-4-2-5-11(15)13(10)19(17,18)8-7-9-3-1-6-12(9)16/h2,4-5,9,12H,1,3,6-8,16H2.
What are the key properties of 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine?
2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine has a molecular weight of 322.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)sulfonylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79581118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).