2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid

C12H14Cl3NO4S — CID 79262274

IUPAC2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO4S/c1-12(2,3)16(6-10(17)18)21(19,20)11-8(14)4-7(13)5-9(11)15/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyGMFFHGQWDJYVGR-UHFFFAOYSA-N
MW374.67 g/mol
LogP3.52
Rot. Bonds4

About 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid

2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid (PubChem CID 79262274) has the molecular formula C12H14Cl3NO4S and a molecular weight of 374.67 g/mol. Its IUPAC name is 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid
PubChem CID79262274
Molecular FormulaC12H14Cl3NO4S
Molecular Weight374.67 g/mol
Exact Mass372.97
IUPAC Name2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3NO4S/c1-12(2,3)16(6-10(17)18)21(19,20)11-8(14)4-7(13)5-9(11)15/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyGMFFHGQWDJYVGR-UHFFFAOYSA-N
XLogP3.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-(4-chloro-2-fluorophenyl)sulfonylamino]acetic acid
CID 79268453
2-[tert-butyl-(2,5-dichlorothiophen-3-yl)sulfonylamino]acetic acid
CID 79269352
2-[tert-butyl-(3-cyanophenyl)sulfonylamino]acetic acid
CID 79268636
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817485
2-[tert-butyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetic acid
CID 79268547
2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
CID 43091528
2-[tert-butyl-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]acetic acid
CID 79262297
2-[tert-butyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetic acid
CID 79262493
2-[tert-butyl-(3-fluoro-4-methoxyphenyl)sulfonylamino]acetic acid
CID 79262278
2-[tert-butyl(propan-2-ylsulfonyl)amino]acetic acid
CID 79268548
2-[tert-butyl-(1-ethylimidazol-4-yl)sulfonylamino]acetic acid
CID 79373019
2-[tert-butyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113153008

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid (CID 79262274) is 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid is CC(C)(C)N(CC(=O)O)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid?
The InChIKey is GMFFHGQWDJYVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO4S/c1-12(2,3)16(6-10(17)18)21(19,20)11-8(14)4-7(13)5-9(11)15/h4-5H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid?
2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid has a molecular weight of 374.67 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(2,4,6-trichlorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 79262274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).