3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine

C16H15ClN2O5S — CID 122248138

IUPAC3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H15ClN2O5S/c17-13-2-1-5-18-16(13)24-11-9-19(10-11)25(20,21)12-3-4-14-15(8-12)23-7-6-22-14/h1-5,8,11H,6-7,9-10H2
InChIKeyHUCFWNXNPKIMLI-UHFFFAOYSA-N
MW382.83 g/mol
LogP1.96
Rot. Bonds4

About 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine

3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine (PubChem CID 122248138) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
PubChem CID122248138
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C16H15ClN2O5S/c17-13-2-1-5-18-16(13)24-11-9-19(10-11)25(20,21)12-3-4-14-15(8-12)23-7-6-22-14/h1-5,8,11H,6-7,9-10H2
InChIKeyHUCFWNXNPKIMLI-UHFFFAOYSA-N
XLogP1.96
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine 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-[4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248172
3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248183
2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine
CID 97018217
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-amine
CID 63767552
1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
5-chloro-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122259676
(3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665392
2-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251181
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenoxypiperidine
CID 110396758
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265561
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103943863
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N,N-dimethylazetidin-3-amine
CID 154859885

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine?
The IUPAC name of 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine (CID 122248138) is 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine.
What is the SMILES notation for 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine?
The canonical SMILES for 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine?
The InChIKey is HUCFWNXNPKIMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c17-13-2-1-5-18-16(13)24-11-9-19(10-11)25(20,21)12-3-4-14-15(8-12)23-7-6-22-14/h1-5,8,11H,6-7,9-10H2.
What are the key properties of 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine?
3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine has a molecular weight of 382.83 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine is sourced from PubChem (CID 122248138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).