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

C12H15ClFNO2S — CID 64676515

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO2S/c1-15-11-3-2-4-12(11)18(16,17)8-5-6-10(14)9(13)7-8/h5-7,11-12,15H,2-4H2,1H3
InChIKeyNVFRVHXYIMWDCI-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.39
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine (PubChem CID 64676515) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine
PubChem CID64676515
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.78 g/mol
Exact Mass291.05
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO2S/c1-15-11-3-2-4-12(11)18(16,17)8-5-6-10(14)9(13)7-8/h5-7,11-12,15H,2-4H2,1H3
InChIKeyNVFRVHXYIMWDCI-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 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine (CID 64676515) is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine is CNC1CCCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine?
The InChIKey is NVFRVHXYIMWDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c1-15-11-3-2-4-12(11)18(16,17)8-5-6-10(14)9(13)7-8/h5-7,11-12,15H,2-4H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine?
2-(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 2-(3-chloro-4-fluorophenyl)sulfonyl-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64676515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).