2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine

C13H19ClFN3O2S — CID 110623998

IUPAC2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
SMILESCNS(=O)(=O)NCC(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C13H19ClFN3O2S/c1-16-21(19,20)17-9-12(18-7-2-3-8-18)13-10(14)5-4-6-11(13)15/h4-6,12,16-17H,2-3,7-9H2,1H3
InChIKeyWEMQQLSHJTVLGQ-UHFFFAOYSA-N
MW335.83 g/mol
LogP1.67
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine

2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 110623998) has the molecular formula C13H19ClFN3O2S and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
PubChem CID110623998
Molecular FormulaC13H19ClFN3O2S
Molecular Weight335.83 g/mol
Exact Mass335.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
SMILESCNS(=O)(=O)NCC(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C13H19ClFN3O2S/c1-16-21(19,20)17-9-12(18-7-2-3-8-18)13-10(14)5-4-6-11(13)15/h4-6,12,16-17H,2-3,7-9H2,1H3
InChIKeyWEMQQLSHJTVLGQ-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 60568452
2-(4-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623873
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]cyclopentanesulfonamide
CID 110304294
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 47030334
2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692556
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 55681910
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344569
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluorobenzamide
CID 112506853
4-[[[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030279

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine (CID 110623998) is 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine is CNS(=O)(=O)NCC(c1c(F)cccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is WEMQQLSHJTVLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3O2S/c1-16-21(19,20)17-9-12(18-7-2-3-8-18)13-10(14)5-4-6-11(13)15/h4-6,12,16-17H,2-3,7-9H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine?
2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 335.83 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 110623998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).