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

C10H14BrN3O4S — CID 81414077

IUPAC2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C10H14BrN3O4S/c1-13-10(15)5-14-19(16,17)9-4-7(12)6(11)3-8(9)18-2/h3-4,14H,5,12H2,1-2H3,(H,13,15)
InChIKeyUWTNEUCTPZDMSU-UHFFFAOYSA-N
MW352.21 g/mol
LogP0.06
Rot. Bonds5

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

2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 81414077) has the molecular formula C10H14BrN3O4S and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
PubChem CID81414077
Molecular FormulaC10H14BrN3O4S
Molecular Weight352.21 g/mol
Exact Mass350.99
IUPAC Name2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C10H14BrN3O4S/c1-13-10(15)5-14-19(16,17)9-4-7(12)6(11)3-8(9)18-2/h3-4,14H,5,12H2,1-2H3,(H,13,15)
InChIKeyUWTNEUCTPZDMSU-UHFFFAOYSA-N
XLogP0.06
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 50.06
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-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
3-[(5-amino-4-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914002
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
5-amino-4-bromo-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460098
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
5-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 81414494
2-[(3-amino-4-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 43310349
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide
CID 81413600
5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 81397762
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 81396931
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide (CID 81414077) is 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1cc(N)c(Br)cc1OC.
What is the InChIKey of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is UWTNEUCTPZDMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O4S/c1-13-10(15)5-14-19(16,17)9-4-7(12)6(11)3-8(9)18-2/h3-4,14H,5,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide?
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 352.21 g/mol, XLogP of 0.06, 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]-N-methylacetamide is sourced from PubChem (CID 81414077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).