2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine

C13H17F2NO2S — CID 64645531

IUPAC2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2S/c1-2-16-11-4-3-5-12(11)19(17,18)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3
InChIKeyYSOAOJWHBPUUBM-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.27
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine

2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine (PubChem CID 64645531) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
PubChem CID64645531
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2S/c1-2-16-11-4-3-5-12(11)19(17,18)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3
InChIKeyYSOAOJWHBPUUBM-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645332
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64644473
2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64645052
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
CID 64645336
2-(2-fluorophenyl)sulfonyl-N-methylcycloheptan-1-amine
CID 64645152
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
CID 64639620
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
cis-(1S,2R)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 129421906
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine (CID 64645531) is 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine is CCNC1CCCC1S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The InChIKey is YSOAOJWHBPUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-2-16-11-4-3-5-12(11)19(17,18)13-8-9(14)6-7-10(13)15/h6-8,11-12,16H,2-5H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64645531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).