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

C13H17ClFNO2S — CID 64675529

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFNO2S/c1-2-16-12-4-3-5-13(12)19(17,18)9-6-7-11(15)10(14)8-9/h6-8,12-13,16H,2-5H2,1H3
InChIKeyJCVXXSPSKPCDEV-UHFFFAOYSA-N
MW305.80 g/mol
LogP2.78
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine (PubChem CID 64675529) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
PubChem CID64675529
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFNO2S/c1-2-16-12-4-3-5-13(12)19(17,18)9-6-7-11(15)10(14)8-9/h6-8,12-13,16H,2-5H2,1H3
InChIKeyJCVXXSPSKPCDEV-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine (CID 64675529) is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine is CCNC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The InChIKey is JCVXXSPSKPCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c1-2-16-12-4-3-5-13(12)19(17,18)9-6-7-11(15)10(14)8-9/h6-8,12-13,16H,2-5H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine?
2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine has a molecular weight of 305.80 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64675529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).