1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine

C12H15Cl2NO3S — CID 3718020

IUPAC1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3S/c1-18-8-9-3-2-6-15(9)19(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyHBRYIKBCJWKPIC-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.79
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine

1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine (PubChem CID 3718020) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
PubChem CID3718020
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3S/c1-18-8-9-3-2-6-15(9)19(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyHBRYIKBCJWKPIC-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 74226134
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927
4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 3695622
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270
3,3-dichloro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indol-2-one
CID 70342438
2-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 24944730
6-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 46966853
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761
2-ethylsulfonyl-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 98774559
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 7177581

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine (CID 3718020) is 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine is COCC1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is HBRYIKBCJWKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-18-8-9-3-2-6-15(9)19(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine has a molecular weight of 324.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 3718020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).