2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid

C14H19ClN2O5S — CID 119200404

IUPAC2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H19ClN2O5S/c1-9(12(18)17(4)14(2,3)13(19)20)16-23(21,22)11-7-5-10(15)6-8-11/h5-9,16H,1-4H3,(H,19,20)
InChIKeyXIITVLHBWYRIMS-UHFFFAOYSA-N
MW362.84 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid

2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid (PubChem CID 119200404) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
PubChem CID119200404
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H19ClN2O5S/c1-9(12(18)17(4)14(2,3)13(19)20)16-23(21,22)11-7-5-10(15)6-8-11/h5-9,16H,1-4H3,(H,19,20)
InChIKeyXIITVLHBWYRIMS-UHFFFAOYSA-N
XLogP1.33
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119200841
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 56536513
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 55941880
(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55943594
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid (CID 119200404) is 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is XIITVLHBWYRIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-9(12(18)17(4)14(2,3)13(19)20)16-23(21,22)11-7-5-10(15)6-8-11/h5-9,16H,1-4H3,(H,19,20).
What are the key properties of 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid?
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 362.84 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).