2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid

C14H15ClN2O6S — CID 167808293

IUPAC2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid
SMILESCc1noc(C)c1CNS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O6S/c1-8-11(9(2)23-17-8)6-16-24(20,21)10-3-4-13(12(15)5-10)22-7-14(18)19/h3-5,16H,6-7H2,1-2H3,(H,18,19)
InChIKeyMDRZCDTYQPDFKK-UHFFFAOYSA-N
MW374.80 g/mol
LogP1.89
Rot. Bonds7

About 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid

2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid (PubChem CID 167808293) has the molecular formula C14H15ClN2O6S and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid
PubChem CID167808293
Molecular FormulaC14H15ClN2O6S
Molecular Weight374.80 g/mol
Exact Mass374.03
IUPAC Name2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid
SMILESCc1noc(C)c1CNS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O6S/c1-8-11(9(2)23-17-8)6-16-24(20,21)10-3-4-13(12(15)5-10)22-7-14(18)19/h3-5,16H,6-7H2,1-2H3,(H,18,19)
InChIKeyMDRZCDTYQPDFKK-UHFFFAOYSA-N
XLogP1.89
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 47959232
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid
CID 120531979
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110731011
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
2-[2-chloro-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenoxy]acetamide
CID 100815540
2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 108572839
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
CID 78980153
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2-ethylphenyl)acetamide
CID 126279616
N-benzyl-3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1007908

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid (CID 167808293) is 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid is Cc1noc(C)c1CNS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid?
The InChIKey is MDRZCDTYQPDFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O6S/c1-8-11(9(2)23-17-8)6-16-24(20,21)10-3-4-13(12(15)5-10)22-7-14(18)19/h3-5,16H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid?
2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid has a molecular weight of 374.80 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 167808293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).