2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine

C11H12Cl3NO2S — CID 58733463

IUPAC2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO2S/c1-7-3-2-4-15(7)18(16,17)11-9(13)5-8(12)6-10(11)14/h5-7H,2-4H2,1H3
InChIKeyMQLNHHOJXODQQL-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.82
Rot. Bonds2

About 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine

2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine (PubChem CID 58733463) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
PubChem CID58733463
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO2S/c1-7-3-2-4-15(7)18(16,17)11-9(13)5-8(12)6-10(11)14/h5-7H,2-4H2,1H3
InChIKeyMQLNHHOJXODQQL-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105357
1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43361188
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522
(2S)-2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120717146
2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 62955662
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine
CID 120725706
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
2,3-dimethyl-1-(2,4,6-trichlorophenyl)sulfonylpiperazine;hydrochloride
CID 120725705
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
4-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 54898052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine (CID 58733463) is 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine is CC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine?
The InChIKey is MQLNHHOJXODQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c1-7-3-2-4-15(7)18(16,17)11-9(13)5-8(12)6-10(11)14/h5-7H,2-4H2,1H3.
What are the key properties of 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine?
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine has a molecular weight of 328.65 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 58733463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).