3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine

C13H17ClFNO2S — CID 64905303

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C13H17ClFNO2S/c1-8-12(16-2)5-6-13(8)19(17,18)9-3-4-11(15)10(14)7-9/h3-4,7-8,12-13,16H,5-6H2,1-2H3
InChIKeyJHYNPNQGWWZTMX-UHFFFAOYSA-N
MW305.80 g/mol
LogP2.64
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine

3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64905303) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64905303
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C13H17ClFNO2S/c1-8-12(16-2)5-6-13(8)19(17,18)9-3-4-11(15)10(14)7-9/h3-4,7-8,12-13,16H,5-6H2,1-2H3
InChIKeyJHYNPNQGWWZTMX-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine (CID 64905303) is 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine is CNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1C.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is JHYNPNQGWWZTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c1-8-12(16-2)5-6-13(8)19(17,18)9-3-4-11(15)10(14)7-9/h3-4,7-8,12-13,16H,5-6H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 305.80 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64905303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).