2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid

C14H21NO4S — CID 61263423

IUPAC2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-5-10(2)11-6-8-12(9-7-11)20(18,19)15-14(3,4)13(16)17/h6-10,15H,5H2,1-4H3,(H,16,17)
InChIKeyDGVPFXVCDNZVGB-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.34
Rot. Bonds6

About 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid

2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61263423) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61263423
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-5-10(2)11-6-8-12(9-7-11)20(18,19)15-14(3,4)13(16)17/h6-10,15H,5H2,1-4H3,(H,16,17)
InChIKeyDGVPFXVCDNZVGB-UHFFFAOYSA-N
XLogP2.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79790236
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79009568
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774
2-(4-butan-2-ylphenyl)sulfonyl-2-chloroacetic acid
CID 23382710
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid (CID 61263423) is 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid is CCC(C)c1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is DGVPFXVCDNZVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-5-10(2)11-6-8-12(9-7-11)20(18,19)15-14(3,4)13(16)17/h6-10,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid?
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61263423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).