3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine

C10H11ClFNOS — CID 123666998

IUPAC3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine
SMILESO=S(c1ccc(F)cc1Cl)C1CCNC1
InChIInChI=1S/C10H11ClFNOS/c11-9-5-7(12)1-2-10(9)15(14)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyNSJJWXXQXRIUJN-UHFFFAOYSA-N
MW247.72 g/mol
LogP1.95
Rot. Bonds2

About 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine

3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine (PubChem CID 123666998) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine
PubChem CID123666998
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine
SMILESO=S(c1ccc(F)cc1Cl)C1CCNC1
InChIInChI=1S/C10H11ClFNOS/c11-9-5-7(12)1-2-10(9)15(14)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyNSJJWXXQXRIUJN-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(2-chlorophenylsulfonyl)-3-fluorobut-2-en-1-amine
CID 146317738
N'-[9-(2-chloro-5-fluorophenyl)sulfonylnonyl]propane-1,3-diamine
CID 58260282
(3S)-3-(4-fluorophenyl)sulfonylpyrrolidine
CID 66569604
(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 67496571
3-(2-Chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 67496575
3-(4-Fluorobenzenesulfonyl)pyrrolidine
CID 71777941
3-(4-Fluorophenyl)sulfinylpyrrolidine
CID 77144705
(S)-3-(2-chloro-benzenesulfonyl)-pyrrolidine trifluoroacetate
CID 86664756
5-(2-Chloro-4-fluorophenyl)sulfanyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine
CID 141156701
3-(2-Chlorophenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrolidine
CID 141278727
3-(2-Chloro-4-fluorophenyl)sulfanylpyrrolidine
CID 144374722
[4-(2-Chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium
CID 163490559

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine (CID 123666998) is 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine is O=S(c1ccc(F)cc1Cl)C1CCNC1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine?
The InChIKey is NSJJWXXQXRIUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c11-9-5-7(12)1-2-10(9)15(14)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine?
3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine has a molecular weight of 247.72 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)sulfinylpyrrolidine is sourced from PubChem (CID 123666998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).