N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide

C9H12BrN3O3S — CID 10734581

IUPACN-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C9H12BrN3O3S/c1-12-5-9(14)13-8-3-2-6(4-7(8)10)17(11,15)16/h2-4,12H,5H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyMWCGRKXOOPYWIK-UHFFFAOYSA-N
MW322.18 g/mol
LogP0.25
Rot. Bonds4

About N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide

N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide (PubChem CID 10734581) has the molecular formula C9H12BrN3O3S and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide
PubChem CID10734581
Molecular FormulaC9H12BrN3O3S
Molecular Weight322.18 g/mol
Exact Mass320.98
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C9H12BrN3O3S/c1-12-5-9(14)13-8-3-2-6(4-7(8)10)17(11,15)16/h2-4,12H,5H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyMWCGRKXOOPYWIK-UHFFFAOYSA-N
XLogP0.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide (CID 10734581) is N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide?
The InChIKey is MWCGRKXOOPYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3S/c1-12-5-9(14)13-8-3-2-6(4-7(8)10)17(11,15)16/h2-4,12H,5H2,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide?
N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide has a molecular weight of 322.18 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 10734581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).