4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid

C11H15BrN2O4S — CID 62043738

IUPAC4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-11(2,4-3-10(15)16)14-19(17,18)9-5-8(12)6-13-7-9/h5-7,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyURLSJXPTWWVPDF-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.77
Rot. Bonds6

About 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid

4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 62043738) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID62043738
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-11(2,4-3-10(15)16)14-19(17,18)9-5-8(12)6-13-7-9/h5-7,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyURLSJXPTWWVPDF-UHFFFAOYSA-N
XLogP1.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068864
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64557037
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
4-[(2-bromo-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068939
4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
CID 122068780
4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068851
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
3-[(5-bromopyridine-3-carbonyl)-tert-butylamino]propanoic acid
CID 60826040

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid (CID 62043738) is 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is URLSJXPTWWVPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-11(2,4-3-10(15)16)14-19(17,18)9-5-8(12)6-13-7-9/h5-7,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid?
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 351.22 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62043738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).