[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine

C12H16Cl2N2O3S — CID 119972086

IUPAC[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCC(CN)C2)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-19-11-4-10(14)12(5-9(11)13)20(17,18)16-3-2-8(6-15)7-16/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyNRSMXXOAEIDBBW-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.97
Rot. Bonds4

About [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 119972086) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID119972086
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCC(CN)C2)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-19-11-4-10(14)12(5-9(11)13)20(17,18)16-3-2-8(6-15)7-16/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyNRSMXXOAEIDBBW-UHFFFAOYSA-N
XLogP1.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine 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-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
3-(2,5-dichloro-4-methoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989439
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
1-(2-chloro-4,5-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 122068483
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
[1-(5-bromo-2-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963757

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 119972086) is [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine is COc1cc(Cl)c(S(=O)(=O)N2CCC(CN)C2)cc1Cl.
What is the InChIKey of [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is NRSMXXOAEIDBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-19-11-4-10(14)12(5-9(11)13)20(17,18)16-3-2-8(6-15)7-16/h4-5,8H,2-3,6-7,15H2,1H3.
What are the key properties of [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 339.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 119972086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).