1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride

C11H15Cl2FN2O2S — CID 119963060

IUPAC1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1.Cl
InChIInChI=1S/C11H14ClFN2O2S.ClH/c1-14-9-4-5-15(7-9)18(16,17)11-3-2-8(12)6-10(11)13;/h2-3,6,9,14H,4-5,7H2,1H3;1H
InChIKeyVYOKZBQMTYXKIV-UHFFFAOYSA-N
MW329.22 g/mol
LogP1.88
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride

1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119963060) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119963060
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC Name1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1.Cl
InChIInChI=1S/C11H14ClFN2O2S.ClH/c1-14-9-4-5-15(7-9)18(16,17)11-3-2-8(12)6-10(11)13;/h2-3,6,9,14H,4-5,7H2,1H3;1H
InChIKeyVYOKZBQMTYXKIV-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963067
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63844683
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715088
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63845886

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride (CID 119963060) is 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1.Cl.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is VYOKZBQMTYXKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S.ClH/c1-14-9-4-5-15(7-9)18(16,17)11-3-2-8(12)6-10(11)13;/h2-3,6,9,14H,4-5,7H2,1H3;1H.
What are the key properties of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride?
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 329.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119963060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).