5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine

C14H19ClFNO2S — CID 79862812

IUPAC5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1(C)C
InChIInChI=1S/C14H19ClFNO2S/c1-14(2)7-6-12(13(14)17-3)20(18,19)9-4-5-11(16)10(15)8-9/h4-5,8,12-13,17H,6-7H2,1-3H3
InChIKeyDFPTYENPYPWMQI-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.03
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine

5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79862812) has the molecular formula C14H19ClFNO2S and a molecular weight of 319.83 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79862812
Molecular FormulaC14H19ClFNO2S
Molecular Weight319.83 g/mol
Exact Mass319.08
IUPAC Name5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1(C)C
InChIInChI=1S/C14H19ClFNO2S/c1-14(2)7-6-12(13(14)17-3)20(18,19)9-4-5-11(16)10(15)8-9/h4-5,8,12-13,17H,6-7H2,1-3H3
InChIKeyDFPTYENPYPWMQI-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine (CID 79862812) is 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine is CNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1(C)C.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is DFPTYENPYPWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2S/c1-14(2)7-6-12(13(14)17-3)20(18,19)9-4-5-11(16)10(15)8-9/h4-5,8,12-13,17H,6-7H2,1-3H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine?
5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 319.83 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79862812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).