1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride

C12H17Cl2FN2O2S — CID 120582967

IUPAC1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1.Cl
InChIInChI=1S/C12H16ClFN2O2S.ClH/c1-8(15)9-4-5-16(7-9)19(17,18)12-3-2-10(14)6-11(12)13;/h2-3,6,8-9H,4-5,7,15H2,1H3;1H
InChIKeyIHFRTSUKJRUTIA-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.26
Rot. Bonds3

About 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride

1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride (PubChem CID 120582967) has the molecular formula C12H17Cl2FN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
PubChem CID120582967
Molecular FormulaC12H17Cl2FN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.04
IUPAC Name1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1.Cl
InChIInChI=1S/C12H16ClFN2O2S.ClH/c1-8(15)9-4-5-16(7-9)19(17,18)12-3-2-10(14)6-11(12)13;/h2-3,6,8-9H,4-5,7,15H2,1H3;1H
InChIKeyIHFRTSUKJRUTIA-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
(1S)-1-[(3S)-1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678238
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
1-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583106
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984302
1-(2-bromo-4-fluorophenyl)sulfonyl-3-propan-2-ylpyrrolidine
CID 113254437
1-[1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583103
methyl 2-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-4-fluorobenzoate;hydrochloride
CID 119984692

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride (CID 120582967) is 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1.Cl.
What is the InChIKey of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride?
The InChIKey is IHFRTSUKJRUTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S.ClH/c1-8(15)9-4-5-16(7-9)19(17,18)12-3-2-10(14)6-11(12)13;/h2-3,6,8-9H,4-5,7,15H2,1H3;1H.
What are the key properties of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride?
1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride has a molecular weight of 343.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120582967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).