2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid

C12H17NO5S — CID 81005006

IUPAC2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid
SMILESCc1cc(S(N)(=O)=O)c(C(C)C)cc1OCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-7(2)9-5-10(18-6-12(14)15)8(3)4-11(9)19(13,16)17/h4-5,7H,6H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyVGZXOCJWGULDOR-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.23
Rot. Bonds5

About 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid

2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid (PubChem CID 81005006) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid
PubChem CID81005006
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid
SMILESCc1cc(S(N)(=O)=O)c(C(C)C)cc1OCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-7(2)9-5-10(18-6-12(14)15)8(3)4-11(9)19(13,16)17/h4-5,7H,6H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyVGZXOCJWGULDOR-UHFFFAOYSA-N
XLogP1.23
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-but-2-enoxy]-5-methyl-2-propan-2-ylbenzenesulfonamide
CID 82919148
4-ethoxy-5-methyl-2-propan-2-ylbenzenesulfonic acid
CID 176845906
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
2-methyl-4-(3-methylbut-2-enoxy)-5-propan-2-ylbenzenesulfonamide
CID 82921411
4-butoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004742
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
4-(2-methoxypropoxy)-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 113382745
5-methyl-4-(2-methylsulfonylethoxy)-2-propan-2-ylbenzenesulfonyl chloride
CID 80999631
5-methyl-4-(4-methylpentoxy)-2-propan-2-ylbenzenesulfonyl chloride
CID 83157728
4-but-2-ynoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 82921176
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-(4-cyano-2-propan-2-ylphenoxy)acetic acid
CID 126600902

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid?
The IUPAC name of 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid (CID 81005006) is 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid?
The canonical SMILES for 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid is Cc1cc(S(N)(=O)=O)c(C(C)C)cc1OCC(=O)O.
What is the InChIKey of 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid?
The InChIKey is VGZXOCJWGULDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-7(2)9-5-10(18-6-12(14)15)8(3)4-11(9)19(13,16)17/h4-5,7H,6H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid?
2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid has a molecular weight of 287.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid is sourced from PubChem (CID 81005006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).