3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine

C11H16ClN3O4S — CID 103538339

IUPAC3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCOC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1OC
InChIInChI=1S/C11H16ClN3O4S/c1-18-9-5-15(6-10(9)19-2)20(16,17)7-3-8(12)11(13)14-4-7/h3-4,9-10H,5-6H2,1-2H3,(H2,13,14)
InChIKeySDRQEIPRQSQQGO-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.35
Rot. Bonds4

About 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine

3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 103538339) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
PubChem CID103538339
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
SMILESCOC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1OC
InChIInChI=1S/C11H16ClN3O4S/c1-18-9-5-15(6-10(9)19-2)20(16,17)7-3-8(12)11(13)14-4-7/h3-4,9-10H,5-6H2,1-2H3,(H2,13,14)
InChIKeySDRQEIPRQSQQGO-UHFFFAOYSA-N
XLogP0.35
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine (CID 103538339) is 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine is COC1CN(S(=O)(=O)c2cnc(N)c(Cl)c2)CC1OC.
What is the InChIKey of 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is SDRQEIPRQSQQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-18-9-5-15(6-10(9)19-2)20(16,17)7-3-8(12)11(13)14-4-7/h3-4,9-10H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine?
3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 321.79 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 103538339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).