1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide

C14H20ClFN2O2S — CID 131897550

IUPAC1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
SMILESCN1CCCC1CCNS(=O)(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2O2S/c1-18-8-2-3-13(18)6-7-17-21(19,20)10-11-4-5-12(15)9-14(11)16/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyFOVOSXUBBQTAAI-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide

1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide (PubChem CID 131897550) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
PubChem CID131897550
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide
SMILESCN1CCCC1CCNS(=O)(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2O2S/c1-18-8-2-3-13(18)6-7-17-21(19,20)10-11-4-5-12(15)9-14(11)16/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyFOVOSXUBBQTAAI-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Chlorobenzyl)sulfonyl]pyrrolidine
CID 2229593
1-(4-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 10543484
N-[(3R)-1-cyanopyrrolidin-3-yl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 44526217
4-[(4-Chloro-2-fluorophenyl)methylidene]-1-(3,5-dimethylpyrazolidin-4-yl)sulfonylpiperidine
CID 139208492
1-(4-Chlorophenyl)-N-[2-(Diethylamino)ethyl]methanesulfonamide
CID 71677773
4-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 139208493
4-(4-Chlorobenzylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 139208494
N-[3-(azepan-1-yl)propyl]-1-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 17640066
1-(2-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 17645879
N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 75370041
2-[(4-Chlorophenyl)methylsulfonylamino]ethyl-diethylazanium
CID 78225416
1-(4-chlorophenyl)-N-((1-isopropylpiperidin-4-yl)methyl)methanesulfonamide
CID 16887590

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide (CID 131897550) is 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide is CN1CCCC1CCNS(=O)(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
The InChIKey is FOVOSXUBBQTAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-18-8-2-3-13(18)6-7-17-21(19,20)10-11-4-5-12(15)9-14(11)16/h4-5,9,13,17H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide?
1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 131897550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).