2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid

C12H14N2O6S — CID 79531271

IUPAC2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H]2CONC2=O)cc1C(=O)O
InChIInChI=1S/C12H14N2O6S/c1-6-3-7(2)10(4-8(6)12(16)17)21(18,19)14-9-5-20-13-11(9)15/h3-4,9,14H,5H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyULUMAUQQGQBOJK-SECBINFHSA-N
MW314.32 g/mol
LogP-0.29
Rot. Bonds4

About 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid

2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (PubChem CID 79531271) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
PubChem CID79531271
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H]2CONC2=O)cc1C(=O)O
InChIInChI=1S/C12H14N2O6S/c1-6-3-7(2)10(4-8(6)12(16)17)21(18,19)14-9-5-20-13-11(9)15/h3-4,9,14H,5H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyULUMAUQQGQBOJK-SECBINFHSA-N
XLogP-0.29
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (CID 79531271) is 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is Cc1cc(C)c(S(=O)(=O)N[C@@H]2CONC2=O)cc1C(=O)O.
What is the InChIKey of 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The InChIKey is ULUMAUQQGQBOJK-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O6S/c1-6-3-7(2)10(4-8(6)12(16)17)21(18,19)14-9-5-20-13-11(9)15/h3-4,9,14H,5H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid has a molecular weight of 314.32 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 79531271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).