2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid

C12H17NO5S — CID 61262298

IUPAC2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C12H17NO5S/c1-8-7-9(5-6-10(8)18-4)19(16,17)13-12(2,3)11(14)15/h5-7,13H,1-4H3,(H,14,15)
InChIKeyUFJINQQJEVNQOR-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.15
Rot. Bonds5

About 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid

2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61262298) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61262298
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1C
InChIInChI=1S/C12H17NO5S/c1-8-7-9(5-6-10(8)18-4)19(16,17)13-12(2,3)11(14)15/h5-7,13H,1-4H3,(H,14,15)
InChIKeyUFJINQQJEVNQOR-UHFFFAOYSA-N
XLogP1.15
TPSA92.70 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091766
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid (CID 61262298) is 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid is COc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is UFJINQQJEVNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8-7-9(5-6-10(8)18-4)19(16,17)13-12(2,3)11(14)15/h5-7,13H,1-4H3,(H,14,15).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid?
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61262298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).