1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide

C14H18ClFN2O3S — CID 71977394

IUPAC1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O3S/c1-17-22(20,21)9-10-4-3-7-18(10)14(19)8-11-12(15)5-2-6-13(11)16/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyWRSQMUQFZDSAOH-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.56
Rot. Bonds5

About 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 71977394) has the molecular formula C14H18ClFN2O3S and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID71977394
Molecular FormulaC14H18ClFN2O3S
Molecular Weight348.83 g/mol
Exact Mass348.07
IUPAC Name1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O3S/c1-17-22(20,21)9-10-4-3-7-18(10)14(19)8-11-12(15)5-2-6-13(11)16/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyWRSQMUQFZDSAOH-UHFFFAOYSA-N
XLogP1.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(((S)-1-((R)-3-amino-4-(3-chlorophenyl)butanoyl)pyrrolidin-2-yl)methyl)cyclopropanesulfonamide
CID 45269123
2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 4791671
2-(2-chloro-6-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2712590
2-Chloro-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-6-fluorobenzamide
CID 91910986
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71454381
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71457937
(3S)-N-[(2-chlorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71459857
(3S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71459858
(3S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71459863
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-3-carboxamide
CID 71463308
2-(2-chloro-6-fluorophenyl)-N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)acetamide
CID 47156886
1-[2-(2-chlorophenyl)acetyl]-2-methyl-N-propan-2-ylsulfonylazetidine-2-carboxamide
CID 49778451

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 71977394) is 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is WRSQMUQFZDSAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3S/c1-17-22(20,21)9-10-4-3-7-18(10)14(19)8-11-12(15)5-2-6-13(11)16/h2,5-6,10,17H,3-4,7-9H2,1H3.
What are the key properties of 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 348.83 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71977394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).