2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine

C11H13Cl2NO2S — CID 134086021

IUPAC2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CC1CCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c12-9-4-1-5-10(13)11(9)17(15,16)7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2
InChIKeyUACXXGOLEAOXFU-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.52
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine

2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine (PubChem CID 134086021) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
PubChem CID134086021
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CC1CCCN1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO2S/c12-9-4-1-5-10(13)11(9)17(15,16)7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2
InChIKeyUACXXGOLEAOXFU-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736
2,6-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723410
N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
CID 97163642
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
4-(pyrrolidin-2-ylmethylsulfonyl)phenol
CID 84702717
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine (CID 134086021) is 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine is O=S(=O)(CC1CCCN1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine?
The InChIKey is UACXXGOLEAOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-9-4-1-5-10(13)11(9)17(15,16)7-8-3-2-6-14-8/h1,4-5,8,14H,2-3,6-7H2.
What are the key properties of 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine?
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine has a molecular weight of 294.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine is sourced from PubChem (CID 134086021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).