3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine

C12H15ClFNO2S — CID 64725076

IUPAC3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO2S/c1-15-8-2-3-9(6-8)18(16,17)10-4-5-12(14)11(13)7-10/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyPNTCMSPRCVNDLG-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.39
Rot. Bonds3

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

3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine (PubChem CID 64725076) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine
PubChem CID64725076
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.78 g/mol
Exact Mass291.05
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H15ClFNO2S/c1-15-8-2-3-9(6-8)18(16,17)10-4-5-12(14)11(13)7-10/h4-5,7-9,15H,2-3,6H2,1H3
InChIKeyPNTCMSPRCVNDLG-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.39
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-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine (CID 64725076) is 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine is CNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine?
The InChIKey is PNTCMSPRCVNDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c1-15-8-2-3-9(6-8)18(16,17)10-4-5-12(14)11(13)7-10/h4-5,7-9,15H,2-3,6H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine?
3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 2.39, 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-methylcyclopentan-1-amine is sourced from PubChem (CID 64725076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).