2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide

C11H16BrN3O4S — CID 81413600

IUPAC2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C11H16BrN3O4S/c1-11(2,10(14)16)15-20(17,18)9-5-7(13)6(12)4-8(9)19-3/h4-5,15H,13H2,1-3H3,(H2,14,16)
InChIKeyDWYXSXYYBUFACK-UHFFFAOYSA-N
MW366.24 g/mol
LogP0.58
Rot. Bonds5

About 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide

2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide (PubChem CID 81413600) has the molecular formula C11H16BrN3O4S and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide
PubChem CID81413600
Molecular FormulaC11H16BrN3O4S
Molecular Weight366.24 g/mol
Exact Mass365.00
IUPAC Name2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C11H16BrN3O4S/c1-11(2,10(14)16)15-20(17,18)9-5-7(13)6(12)4-8(9)19-3/h4-5,15H,13H2,1-3H3,(H2,14,16)
InChIKeyDWYXSXYYBUFACK-UHFFFAOYSA-N
XLogP0.58
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 81414077
5-amino-4-bromo-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460098
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
5-amino-4-bromo-2-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 81397159
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485245
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 81397762
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide (CID 81413600) is 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide is COc1cc(Br)c(N)cc1S(=O)(=O)NC(C)(C)C(N)=O.
What is the InChIKey of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide?
The InChIKey is DWYXSXYYBUFACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O4S/c1-11(2,10(14)16)15-20(17,18)9-5-7(13)6(12)4-8(9)19-3/h4-5,15H,13H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide?
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide has a molecular weight of 366.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 81413600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).