[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine

C11H14Cl2N2O2S — CID 124573759

IUPAC[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c12-8-4-9(13)6-11(5-8)18(16,17)15-3-1-2-10(15)7-14/h4-6,10H,1-3,7,14H2/t10-/m0/s1
InChIKeyPOGJRVZKPAIGEZ-JTQLQIEISA-N
MW309.22 g/mol
LogP2.11
Rot. Bonds3

About [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine

[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 124573759) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID124573759
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c12-8-4-9(13)6-11(5-8)18(16,17)15-3-1-2-10(15)7-14/h4-6,10H,1-3,7,14H2/t10-/m0/s1
InChIKeyPOGJRVZKPAIGEZ-JTQLQIEISA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine
CID 120707945
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988722
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070785
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[(2S)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 124591893
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 124573759) is [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine is NC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is POGJRVZKPAIGEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c12-8-4-9(13)6-11(5-8)18(16,17)15-3-1-2-10(15)7-14/h4-6,10H,1-3,7,14H2/t10-/m0/s1.
What are the key properties of [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 309.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 124573759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).