[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide

C12H16ClFN2O2S — CID 122150909

IUPAC[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c13-12-4-3-10(14)6-9(12)7-16-5-1-2-11(16)8-19(15,17)18/h3-4,6,11H,1-2,5,7-8H2,(H2,15,17,18)
InChIKeyASWPEEKGXALCCI-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.73
Rot. Bonds4

About [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide

[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 122150909) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID122150909
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c13-12-4-3-10(14)6-9(12)7-16-5-1-2-11(16)8-19(15,17)18/h3-4,6,11H,1-2,5,7-8H2,(H2,15,17,18)
InChIKeyASWPEEKGXALCCI-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357
2-(bromomethyl)-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620187
1-[(2-chloro-5-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 102620248
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735
1-[2-[(2R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]ethyl]-4-methylpiperazine
CID 99932558
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 97012606
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
2-[1-[(5-fluoro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 107701806
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926966
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide (CID 122150909) is [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN1Cc1cc(F)ccc1Cl.
What is the InChIKey of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is ASWPEEKGXALCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c13-12-4-3-10(14)6-9(12)7-16-5-1-2-11(16)8-19(15,17)18/h3-4,6,11H,1-2,5,7-8H2,(H2,15,17,18).
What are the key properties of [1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.73, 4 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)methyl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 122150909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).