2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid

C11H15BrN2O4S — CID 62818897

IUPAC2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-4-14(11(2,3)10(15)16)19(17,18)9-5-8(12)6-13-7-9/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyZVKQJRQKTWCZBE-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.72
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid

2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid (PubChem CID 62818897) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
PubChem CID62818897
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-4-14(11(2,3)10(15)16)19(17,18)9-5-8(12)6-13-7-9/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyZVKQJRQKTWCZBE-UHFFFAOYSA-N
XLogP1.72
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817485
2-[(5-bromo-2-methylphenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817848
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 116527347
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
CID 62921775
2-[(4-carbamoylphenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818725
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62817138
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 62009438
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 114172317
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid (CID 62818897) is 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is ZVKQJRQKTWCZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-4-14(11(2,3)10(15)16)19(17,18)9-5-8(12)6-13-7-9/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 351.22 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).