1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine

C10H12ClFN2O2S — CID 120894023

IUPAC1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C10H12ClFN2O2S/c11-7-1-2-9(12)10(5-7)17(15,16)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2
InChIKeyUZFTVOCUFAWPOP-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.20
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine

1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 120894023) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
PubChem CID120894023
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC Name1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESNC1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C10H12ClFN2O2S/c11-7-1-2-9(12)10(5-7)17(15,16)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2
InChIKeyUZFTVOCUFAWPOP-UHFFFAOYSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine 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-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
2-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120894317
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 43455224
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301816
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 146301309

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine (CID 120894023) is 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine is NC1CCN(S(=O)(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is UZFTVOCUFAWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c11-7-1-2-9(12)10(5-7)17(15,16)14-4-3-8(13)6-14/h1-2,5,8H,3-4,6,13H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 278.74 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 120894023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).