2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid

C12H12N2O6S — CID 106370356

IUPAC2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
SMILESCc1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C12H12N2O6S/c1-7-5-13-11(20-7)6-14-21(18,19)8-2-3-10(15)9(4-8)12(16)17/h2-5,14-15H,6H2,1H3,(H,16,17)
InChIKeyNVMXSKBZATXHKN-UHFFFAOYSA-N
MW312.30 g/mol
LogP0.87
Rot. Bonds5

About 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid

2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid (PubChem CID 106370356) has the molecular formula C12H12N2O6S and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
PubChem CID106370356
Molecular FormulaC12H12N2O6S
Molecular Weight312.30 g/mol
Exact Mass312.04
IUPAC Name2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
SMILESCc1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C12H12N2O6S/c1-7-5-13-11(20-7)6-14-21(18,19)8-2-3-10(15)9(4-8)12(16)17/h2-5,14-15H,6H2,1H3,(H,16,17)
InChIKeyNVMXSKBZATXHKN-UHFFFAOYSA-N
XLogP0.87
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 104654766
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
CID 106374468
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propanoylbenzenesulfonamide
CID 71912536
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378168
2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044195
3-(aminomethyl)-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378093
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
CID 106370360

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid (CID 106370356) is 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid is Cc1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)o1.
What is the InChIKey of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid?
The InChIKey is NVMXSKBZATXHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6S/c1-7-5-13-11(20-7)6-14-21(18,19)8-2-3-10(15)9(4-8)12(16)17/h2-5,14-15H,6H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid?
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid has a molecular weight of 312.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 106370356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).