[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine

C11H14ClFN2O2S — CID 115752536

IUPAC[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O2S/c12-10-4-3-8(13)6-11(10)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2
InChIKeyNHENOVVXOQTHDV-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.59
Rot. Bonds3

About [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine

[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 115752536) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID115752536
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O2S/c12-10-4-3-8(13)6-11(10)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2
InChIKeyNHENOVVXOQTHDV-UHFFFAOYSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
CID 105400680
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 95632899
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711687
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-(2-chloro-5-fluorophenyl)sulfonyl-2-isocyanatopyrrolidine
CID 105400275
[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120708048

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 115752536) is [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is NHENOVVXOQTHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-10-4-3-8(13)6-11(10)18(16,17)15-5-1-2-9(15)7-14/h3-4,6,9H,1-2,5,7,14H2.
What are the key properties of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine?
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 292.76 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115752536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).