1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H13Cl2FN2O2S — CID 119971709

IUPAC1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H12ClFN2O2S.ClH/c11-9-5-7(12)1-2-10(9)17(15,16)14-4-3-8(13)6-14;/h1-2,5,8H,3-4,6,13H2;1H
InChIKeyCJZFTENYBXQPCF-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.62
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119971709) has the molecular formula C10H13Cl2FN2O2S and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119971709
Molecular FormulaC10H13Cl2FN2O2S
Molecular Weight315.20 g/mol
Exact Mass314.01
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H12ClFN2O2S.ClH/c11-9-5-7(12)1-2-10(9)17(15,16)14-4-3-8(13)6-14;/h1-2,5,8H,3-4,6,13H2;1H
InChIKeyCJZFTENYBXQPCF-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;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-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 119962610
1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 55030126
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959277
1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120582967
1-(2-chloro-4-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971647
1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-4-amine
CID 115752093
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959137

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119971709) is 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is CJZFTENYBXQPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S.ClH/c11-9-5-7(12)1-2-10(9)17(15,16)14-4-3-8(13)6-14;/h1-2,5,8H,3-4,6,13H2;1H.
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 315.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119971709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).