N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine

C15H22F2N2O3S — CID 53553775

IUPACN-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCN(CCOC)CC1CCCN1S(=O)(=O)C2=CC=CC(=C2F)F
InChIInChI=1S/C15H22F2N2O3S/c1-18(9-10-22-2)11-12-5-4-8-19(12)23(20,21)14-7-3-6-13(16)15(14)17/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyPMXMCBAZNPFKPO-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.70
Rot. Bonds7

About N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine

N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine (PubChem CID 53553775) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine
PubChem CID53553775
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.40 g/mol
Exact Mass348.13
IUPAC NameN-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine
SMILESCN(CCOC)CC1CCCN1S(=O)(=O)C2=CC=CC(=C2F)F
InChIInChI=1S/C15H22F2N2O3S/c1-18(9-10-22-2)11-12-5-4-8-19(12)23(20,21)14-7-3-6-13(16)15(14)17/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKeyPMXMCBAZNPFKPO-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity472

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,5-Difluorophenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6464642
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 3869359
4-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390375
N-(2-cyanoethyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 53555564
N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 53555946
N-[[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine
CID 53576288
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 6733537
1-(4-Fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 42855227
3,5-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 45822437
4-[1-(3-Fluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390372
4-[1-(2,5-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390374
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-difluorobenzenesulfonamide
CID 53571782

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine (CID 53553775) is N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine is CN(CCOC)CC1CCCN1S(=O)(=O)C2=CC=CC(=C2F)F.
What is the InChIKey of N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine?
The InChIKey is PMXMCBAZNPFKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-18(9-10-22-2)11-12-5-4-8-19(12)23(20,21)14-7-3-6-13(16)15(14)17/h3,6-7,12H,4-5,8-11H2,1-2H3.
What are the key properties of N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine?
N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine has a molecular weight of 348.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 53553775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).