4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide

C12H18ClN3O3S — CID 71798894

IUPAC4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-15(2)20(17,18)16-8-5-10(6-9-16)19-12-11(13)4-3-7-14-12/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyVAGWHHRSOIAHDU-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.38
Rot. Bonds4

About 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide

4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 71798894) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID71798894
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-15(2)20(17,18)16-8-5-10(6-9-16)19-12-11(13)4-3-7-14-12/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyVAGWHHRSOIAHDU-UHFFFAOYSA-N
XLogP1.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanethiol, 2-(3-(3-chloro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)
CID 218738
Ethanethiol, 2-(3-(5-chloro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)
CID 218739
5-Chloro-2-(piperidin-3-yloxy)pyridine
CID 62348173
3-Chloro-2-ethoxypyridine
CID 11959087
3-Chloro-2-methoxypyridine
CID 13295749
3-Chloro-2-(propan-2-yloxy)-5-(trifluoromethyl)pyridine
CID 2386954
3-Chloro-2-piperidin-4-yloxypyridine
CID 62344243
5-Chloro-2-(piperidin-4-yloxy)pyridine
CID 11264329
5-Chloro-6-(propan-2-yloxy)pyridin-3-amine
CID 19890818
N,N-dimethyl-4-(pyridin-2-yloxy)piperidine-1-sulfonamide
CID 71798669
Ethyl 4-(4-((3-chloropyridin-2-yl)oxy)piperidin-1-yl)-4-oxobutanoate
CID 71798828
3-Chloro-2-((1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidin-4-yl)oxy)pyridine
CID 71798900

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide (CID 71798894) is 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is VAGWHHRSOIAHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-15(2)20(17,18)16-8-5-10(6-9-16)19-12-11(13)4-3-7-14-12/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 71798894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).