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

C10H12ClFN2O2S — CID 94340393

IUPAC(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C10H12ClFN2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2/t7-/m1/s1
InChIKeyXXMWVWKKEFJPBL-SSDOTTSWSA-N
MW278.74 g/mol
LogP1.20
Rot. Bonds2

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

(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine (PubChem CID 94340393) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
PubChem CID94340393
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC Name(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C10H12ClFN2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2/t7-/m1/s1
InChIKeyXXMWVWKKEFJPBL-SSDOTTSWSA-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

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Related Compounds

(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
1-[1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263968
1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79994182
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685
2-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727311
1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120705953
1-(3-bromo-2-fluorophenyl)sulfonylpiperidin-4-amine
CID 120705916
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine (CID 94340393) is (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1.
What is the InChIKey of (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is XXMWVWKKEFJPBL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c11-8-2-1-3-9(10(8)12)17(15,16)14-5-4-7(13)6-14/h1-3,7H,4-6,13H2/t7-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine?
(3R)-1-(3-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 (3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 94340393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).