1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine

C13H17F2NO3S — CID 75425163

IUPAC1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1S(=O)(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-9-6-13(12(15)7-11(9)14)20(17,18)16-5-3-4-10(16)8-19-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyVKOLCEGYOFPSHW-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.07
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine

1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine (PubChem CID 75425163) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
PubChem CID75425163
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1S(=O)(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H17F2NO3S/c1-9-6-13(12(15)7-11(9)14)20(17,18)16-5-3-4-10(16)8-19-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyVKOLCEGYOFPSHW-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990950
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969412
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
2-[[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 143657937
(2R)-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 126742603
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059
4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 3695622
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
CID 74224270

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine (CID 75425163) is 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine is COCC1CCCN1S(=O)(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is VKOLCEGYOFPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-9-6-13(12(15)7-11(9)14)20(17,18)16-5-3-4-10(16)8-19-2/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine?
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine has a molecular weight of 305.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 75425163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).