2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid

C11H8Cl2N2O5S — CID 81176902

IUPAC2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCc2ccon2)c1Cl
InChIInChI=1S/C11H8Cl2N2O5S/c12-6-3-8(11(16)17)10(13)9(4-6)21(18,19)14-5-7-1-2-20-15-7/h1-4,14H,5H2,(H,16,17)
InChIKeyGUXDQRLRXVJQAW-UHFFFAOYSA-N
MW351.17 g/mol
LogP2.16
Rot. Bonds5

About 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid

2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid (PubChem CID 81176902) has the molecular formula C11H8Cl2N2O5S and a molecular weight of 351.17 g/mol. Its IUPAC name is 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
PubChem CID81176902
Molecular FormulaC11H8Cl2N2O5S
Molecular Weight351.17 g/mol
Exact Mass349.95
IUPAC Name2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCc2ccon2)c1Cl
InChIInChI=1S/C11H8Cl2N2O5S/c12-6-3-8(11(16)17)10(13)9(4-6)21(18,19)14-5-7-1-2-20-15-7/h1-4,14H,5H2,(H,16,17)
InChIKeyGUXDQRLRXVJQAW-UHFFFAOYSA-N
XLogP2.16
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid (CID 81176902) is 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(Cl)cc(S(=O)(=O)NCc2ccon2)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The InChIKey is GUXDQRLRXVJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O5S/c12-6-3-8(11(16)17)10(13)9(4-6)21(18,19)14-5-7-1-2-20-15-7/h1-4,14H,5H2,(H,16,17).
What are the key properties of 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid has a molecular weight of 351.17 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 81176902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).