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

C12H18ClN3O3S — CID 119100618

IUPAC4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-15(2)20(17,18)16-7-4-10(5-8-16)19-12-3-6-14-9-11(12)13/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyPMJXKEWONKHUOE-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.38
Rot. Bonds4

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

4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 119100618) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID119100618
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C12H18ClN3O3S/c1-15(2)20(17,18)16-7-4-10(5-8-16)19-12-3-6-14-9-11(12)13/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyPMJXKEWONKHUOE-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

3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 121017885
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 121017872
methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 119100298
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
(2-bromophenyl)-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 119100578
2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide (CID 119100618) is 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Oc2ccncc2Cl)CC1.
What is the InChIKey of 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is PMJXKEWONKHUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-15(2)20(17,18)16-7-4-10(5-8-16)19-12-3-6-14-9-11(12)13/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide?
4-[(3-chloro-4-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-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 119100618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).