[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C11H15Cl2FN2O2S — CID 119972159

IUPAC[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C11H14ClFN2O2S.ClH/c12-10-2-1-9(13)5-11(10)18(16,17)15-4-3-8(6-14)7-15;/h1-2,5,8H,3-4,6-7,14H2;1H
InChIKeyMTUGAALFBNRCRM-UHFFFAOYSA-N
MW329.22 g/mol
LogP1.87
Rot. Bonds3

About [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119972159) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119972159
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC Name[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C11H14ClFN2O2S.ClH/c12-10-2-1-9(13)5-11(10)18(16,17)15-4-3-8(6-14)7-15;/h1-2,5,8H,3-4,6-7,14H2;1H
InChIKeyMTUGAALFBNRCRM-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
3-(2-chloroethyl)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine
CID 105400625
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119972159) is [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C1.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is MTUGAALFBNRCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S.ClH/c12-10-2-1-9(13)5-11(10)18(16,17)15-4-3-8(6-14)7-15;/h1-2,5,8H,3-4,6-7,14H2;1H.
What are the key properties of [1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 329.22 g/mol, XLogP of 1.87, 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-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).