oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate

C11H12ClNO6S — CID 102608697

IUPACoxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
SMILESCOc1c(C(=O)OC2COC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H12ClNO6S/c1-17-10-8(11(14)19-7-4-18-5-7)2-6(12)3-9(10)20(13,15)16/h2-3,7H,4-5H2,1H3,(H2,13,15,16)
InChIKeyYZCJJQVKVTTZDL-UHFFFAOYSA-N
MW321.74 g/mol
LogP0.55
Rot. Bonds4

About oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate

oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate (PubChem CID 102608697) has the molecular formula C11H12ClNO6S and a molecular weight of 321.74 g/mol. Its IUPAC name is oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate.

Molecular Properties

Compound Nameoxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
PubChem CID102608697
Molecular FormulaC11H12ClNO6S
Molecular Weight321.74 g/mol
Exact Mass321.01
IUPAC Nameoxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
SMILESCOc1c(C(=O)OC2COC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H12ClNO6S/c1-17-10-8(11(14)19-7-4-18-5-7)2-6(12)3-9(10)20(13,15)16/h2-3,7H,4-5H2,1H3,(H2,13,15,16)
InChIKeyYZCJJQVKVTTZDL-UHFFFAOYSA-N
XLogP0.55
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate?
The IUPAC name of oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate (CID 102608697) is oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate.
What is the SMILES notation for oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate?
The canonical SMILES for oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate is COc1c(C(=O)OC2COC2)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate?
The InChIKey is YZCJJQVKVTTZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO6S/c1-17-10-8(11(14)19-7-4-18-5-7)2-6(12)3-9(10)20(13,15)16/h2-3,7H,4-5H2,1H3,(H2,13,15,16).
What are the key properties of oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate?
oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate has a molecular weight of 321.74 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate is sourced from PubChem (CID 102608697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).