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

C11H11FN2O6S — CID 81426698

IUPAC2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESCc1cc(S(=O)(=O)N[C@@H]2CONC2=O)cc(C(=O)O)c1F
InChIInChI=1S/C11H11FN2O6S/c1-5-2-6(3-7(9(5)12)11(16)17)21(18,19)14-8-4-20-13-10(8)15/h2-3,8,14H,4H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyYIXFVHSVCCGBBQ-MRVPVSSYSA-N
MW318.28 g/mol
LogP-0.46
Rot. Bonds4

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

2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (PubChem CID 81426698) has the molecular formula C11H11FN2O6S and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
PubChem CID81426698
Molecular FormulaC11H11FN2O6S
Molecular Weight318.28 g/mol
Exact Mass318.03
IUPAC Name2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
SMILESCc1cc(S(=O)(=O)N[C@@H]2CONC2=O)cc(C(=O)O)c1F
InChIInChI=1S/C11H11FN2O6S/c1-5-2-6(3-7(9(5)12)11(16)17)21(18,19)14-8-4-20-13-10(8)15/h2-3,8,14H,4H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyYIXFVHSVCCGBBQ-MRVPVSSYSA-N
XLogP-0.46
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid
CID 79531271
2-fluoro-5-[(3-hydroxycyclobutyl)sulfamoyl]-3-methylbenzoic acid
CID 81434533
methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate
CID 102919579
5-(ethoxysulfamoyl)-2-fluoro-3-methylbenzoic acid
CID 81435615
2-fluoro-5-(hexan-3-ylsulfamoyl)-3-methylbenzoic acid
CID 81426532
2-fluoro-5-[(5-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)sulfamoyl]-3-methylbenzoic acid
CID 154756401
5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 81434882
2-fluoro-3-methyl-5-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoic acid
CID 81434979
2-fluoro-3-methyl-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 81434428
2-fluoro-3-methyl-5-(thiolan-3-ylmethylsulfamoyl)benzoic acid
CID 107295136
2-fluoro-5-(5-hydroxypentylsulfamoyl)-3-methylbenzoic acid
CID 107316643
5-[(4-amino-4-oxobutyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 81426384

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid (CID 81426698) is 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is Cc1cc(S(=O)(=O)N[C@@H]2CONC2=O)cc(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
The InChIKey is YIXFVHSVCCGBBQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11FN2O6S/c1-5-2-6(3-7(9(5)12)11(16)17)21(18,19)14-8-4-20-13-10(8)15/h2-3,8,14H,4H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1.
What are the key properties of 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid?
2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid has a molecular weight of 318.28 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 81426698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).