[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C11H16Cl2N2O2S — CID 119971833

IUPAC[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-1-3-11(4-2-10)17(15,16)14-6-5-9(7-13)8-14;/h1-4,9H,5-8,13H2;1H
InChIKeyPWWBAJYSEDTHIH-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.73
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119971833) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119971833
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H15ClN2O2S.ClH/c12-10-1-3-11(4-2-10)17(15,16)14-6-5-9(7-13)8-14;/h1-4,9H,5-8,13H2;1H
InChIKeyPWWBAJYSEDTHIH-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
3-(bromomethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 80675042
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971791
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972228
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
[1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061632

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119971833) is [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is PWWBAJYSEDTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c12-10-1-3-11(4-2-10)17(15,16)14-6-5-9(7-13)8-14;/h1-4,9H,5-8,13H2;1H.
What are the key properties of [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 311.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119971833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).