5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C12H11ClN2O3S — CID 86265135

IUPAC5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CCc2oncc2C1
InChIInChI=1S/C12H11ClN2O3S/c13-10-3-1-2-4-12(10)19(16,17)15-6-5-11-9(8-15)7-14-18-11/h1-4,7H,5-6,8H2
InChIKeyAHTJACNVOUJZEL-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.08
Rot. Bonds2

About 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 86265135) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID86265135
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CCc2oncc2C1
InChIInChI=1S/C12H11ClN2O3S/c13-10-3-1-2-4-12(10)19(16,17)15-6-5-11-9(8-15)7-14-18-11/h1-4,7H,5-6,8H2
InChIKeyAHTJACNVOUJZEL-UHFFFAOYSA-N
XLogP2.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 86265131
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CID 59490752
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
5-(2-chlorophenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872833
5-(2-chlorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872730
2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 110646869
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3819741
2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 134960302
11-(2-chlorophenyl)sulfonyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 87052553
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-chlorobenzenesulfonamide
CID 16926448
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
1-(2-chlorophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 86265135) is 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is O=S(=O)(c1ccccc1Cl)N1CCc2oncc2C1.
What is the InChIKey of 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is AHTJACNVOUJZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-10-3-1-2-4-12(10)19(16,17)15-6-5-11-9(8-15)7-14-18-11/h1-4,7H,5-6,8H2.
What are the key properties of 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 298.75 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 86265135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).