oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate

C11H11Cl2NO5S — CID 65381503

IUPACoxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(Cl)cc(C(=O)OC2CCOC2)c1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-6-3-8(10(13)9(4-6)20(14,16)17)11(15)19-7-1-2-18-5-7/h3-4,7H,1-2,5H2,(H2,14,16,17)
InChIKeyBRXBNXARDSFAMJ-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.59
Rot. Bonds3

About oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate

oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate (PubChem CID 65381503) has the molecular formula C11H11Cl2NO5S and a molecular weight of 340.18 g/mol. Its IUPAC name is oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate
PubChem CID65381503
Molecular FormulaC11H11Cl2NO5S
Molecular Weight340.18 g/mol
Exact Mass338.97
IUPAC Nameoxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(Cl)cc(C(=O)OC2CCOC2)c1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-6-3-8(10(13)9(4-6)20(14,16)17)11(15)19-7-1-2-18-5-7/h3-4,7H,1-2,5H2,(H2,14,16,17)
InChIKeyBRXBNXARDSFAMJ-UHFFFAOYSA-N
XLogP1.59
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxetan-3-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
CID 102608697
2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 82748225
oxetan-3-yl 2-chloro-5-nitro-3-sulfamoylbenzoate
CID 102608671
oxolan-3-yl 2,6-difluoro-3-sulfamoylbenzoate
CID 65380294
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65374535
oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818410
[(3R)-oxolan-3-yl] 2-chlorobenzoate
CID 95615058
2-methoxyethyl 2,5-dichloro-3-sulfamoylbenzoate
CID 65380265
oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65376083
oxolan-3-yl 4-aminobenzoate
CID 63558656

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate?
The IUPAC name of oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate (CID 65381503) is oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate.
What is the SMILES notation for oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate?
The canonical SMILES for oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate is NS(=O)(=O)c1cc(Cl)cc(C(=O)OC2CCOC2)c1Cl.
What is the InChIKey of oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate?
The InChIKey is BRXBNXARDSFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO5S/c12-6-3-8(10(13)9(4-6)20(14,16)17)11(15)19-7-1-2-18-5-7/h3-4,7H,1-2,5H2,(H2,14,16,17).
What are the key properties of oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate?
oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate has a molecular weight of 340.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate is sourced from PubChem (CID 65381503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).