2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide

C11H16BrN3O3S — CID 114379316

IUPAC2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C11H16BrN3O3S/c1-6-9(13)4-8(12)5-10(6)19(17,18)15-7(2)11(16)14-3/h4-5,7,15H,13H2,1-3H3,(H,14,16)
InChIKeyOEADGXGUXRPMHS-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.75
Rot. Bonds4

About 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide

2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 114379316) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID114379316
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C11H16BrN3O3S/c1-6-9(13)4-8(12)5-10(6)19(17,18)15-7(2)11(16)14-3/h4-5,7,15H,13H2,1-3H3,(H,14,16)
InChIKeyOEADGXGUXRPMHS-UHFFFAOYSA-N
XLogP0.75
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
3-amino-5-bromo-2-methyl-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 114380223
3-amino-5-bromo-2-methyl-N-pent-4-en-2-ylbenzenesulfonamide
CID 114380177
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 114380197
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 79885689
2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide
CID 62159404
3-amino-5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylbenzenesulfonamide
CID 114380322
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
3-amino-5-bromo-N-(4-hydroxypentyl)-2-methylbenzenesulfonamide
CID 106119259
2-[(2-amino-5-bromophenyl)sulfonylamino]propanamide
CID 54889044

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide (CID 114379316) is 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is OEADGXGUXRPMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-6-9(13)4-8(12)5-10(6)19(17,18)15-7(2)11(16)14-3/h4-5,7,15H,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide?
2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 350.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 114379316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).