5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid

C12H11ClN2O6S — CID 139003553

IUPAC5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
SMILESCOc1cc(S(=O)(=O)NCc2ccon2)c(Cl)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O6S/c1-20-10-5-11(9(13)4-8(10)12(16)17)22(18,19)14-6-7-2-3-21-15-7/h2-5,14H,6H2,1H3,(H,16,17)
InChIKeyFPMGWHLHWCASRU-UHFFFAOYSA-N
MW346.75 g/mol
LogP1.51
Rot. Bonds6

About 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid

5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid (PubChem CID 139003553) has the molecular formula C12H11ClN2O6S and a molecular weight of 346.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
PubChem CID139003553
Molecular FormulaC12H11ClN2O6S
Molecular Weight346.75 g/mol
Exact Mass346.00
IUPAC Name5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
SMILESCOc1cc(S(=O)(=O)NCc2ccon2)c(Cl)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O6S/c1-20-10-5-11(9(13)4-8(10)12(16)17)22(18,19)14-6-7-2-3-21-15-7/h2-5,14H,6H2,1H3,(H,16,17)
InChIKeyFPMGWHLHWCASRU-UHFFFAOYSA-N
XLogP1.51
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176902
2-hydroxy-4-methyl-5-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176901
4-bromo-2-chloro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477882
5-bromo-2-fluoro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176900
2-chloro-4-cyano-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 103989600
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
CID 79481288
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683
2-[(2-chloro-4,5-dimethoxyphenyl)sulfonylamino]acetic acid
CID 120606769
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
5-chloro-2-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81177559

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid (CID 139003553) is 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid is COc1cc(S(=O)(=O)NCc2ccon2)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
The InChIKey is FPMGWHLHWCASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O6S/c1-20-10-5-11(9(13)4-8(10)12(16)17)22(18,19)14-6-7-2-3-21-15-7/h2-5,14H,6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid?
5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid has a molecular weight of 346.75 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 139003553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).