[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine

C12H17ClN2O3S — CID 119971958

IUPAC[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C12H17ClN2O3S/c1-18-10-2-3-11(13)12(6-10)19(16,17)15-5-4-9(7-14)8-15/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyVXCFHEIZXWYVAZ-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.32
Rot. Bonds4

About [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 119971958) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID119971958
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C12H17ClN2O3S/c1-18-10-2-3-11(13)12(6-10)19(16,17)15-5-4-9(7-14)8-15/h2-3,6,9H,4-5,7-8,14H2,1H3
InChIKeyVXCFHEIZXWYVAZ-UHFFFAOYSA-N
XLogP1.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972086
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972159
[1-(2-bromo-5-methoxyphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963828
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974773
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961618
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971923
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 119971958) is [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine is COc1ccc(Cl)c(S(=O)(=O)N2CCC(CN)C2)c1.
What is the InChIKey of [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is VXCFHEIZXWYVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-18-10-2-3-11(13)12(6-10)19(16,17)15-5-4-9(7-14)8-15/h2-3,6,9H,4-5,7-8,14H2,1H3.
What are the key properties of [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 304.80 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 119971958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).