(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine

C17H17F2NO3S — CID 96507301

IUPAC(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine
SMILESCOc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C17H17F2NO3S/c1-23-16-8-3-2-5-13(16)12-9-10-20(11-12)24(21,22)17-14(18)6-4-7-15(17)19/h2-8,12H,9-11H2,1H3/t12-/m1/s1
InChIKeyXDLLEWXADIIHFN-GFCCVEGCSA-N
MW353.39 g/mol
LogP3.15
Rot. Bonds4

About (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine

(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine (PubChem CID 96507301) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine
PubChem CID96507301
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC Name(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine
SMILESCOc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C17H17F2NO3S/c1-23-16-8-3-2-5-13(16)12-9-10-20(11-12)24(21,22)17-14(18)6-4-7-15(17)19/h2-8,12H,9-11H2,1H3/t12-/m1/s1
InChIKeyXDLLEWXADIIHFN-GFCCVEGCSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
2-[(3R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]benzoic acid
CID 95715201
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide
CID 89397295
(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 99876889
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616613
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
2-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744958
3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine
CID 171914914

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine?
The IUPAC name of (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine (CID 96507301) is (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine?
The canonical SMILES for (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine is COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine?
The InChIKey is XDLLEWXADIIHFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c1-23-16-8-3-2-5-13(16)12-9-10-20(11-12)24(21,22)17-14(18)6-4-7-15(17)19/h2-8,12H,9-11H2,1H3/t12-/m1/s1.
What are the key properties of (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine?
(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine has a molecular weight of 353.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 96507301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).