3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine

C11H13ClFNO2S — CID 64724875

IUPAC3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine
SMILESNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClFNO2S/c12-10-6-9(3-4-11(10)13)17(15,16)8-2-1-7(14)5-8/h3-4,6-8H,1-2,5,14H2
InChIKeyWFRCODADMVFBNQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.13
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine

3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine (PubChem CID 64724875) has the molecular formula C11H13ClFNO2S and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine
PubChem CID64724875
Molecular FormulaC11H13ClFNO2S
Molecular Weight277.75 g/mol
Exact Mass277.03
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine
SMILESNC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H13ClFNO2S/c12-10-6-9(3-4-11(10)13)17(15,16)8-2-1-7(14)5-8/h3-4,6-8H,1-2,5,14H2
InChIKeyWFRCODADMVFBNQ-UHFFFAOYSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2794195
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CID 13655037
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CID 146317718
CID 146317718
CID 146317720
CID 146317720
CID 146317738
CID 146317738
CID 146317844
CID 146317844
CID 47157393
CID 47157393
CID 124614301
CID 124614301
CID 64722850
CID 64722850
CID 89792262
CID 89792262
CID 163490559
CID 163490559
CID 170972350
CID 170972350

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine (CID 64724875) is 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine is NC1CCC(S(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine?
The InChIKey is WFRCODADMVFBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2S/c12-10-6-9(3-4-11(10)13)17(15,16)8-2-1-7(14)5-8/h3-4,6-8H,1-2,5,14H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine?
3-(3-chloro-4-fluorophenyl)sulfonylcyclopentan-1-amine has a molecular weight of 277.75 g/mol, XLogP of 2.13, 2 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)sulfonylcyclopentan-1-amine is sourced from PubChem (CID 64724875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).