2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide

C12H17Br2N3O3S — CID 61116167

IUPAC2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H17Br2N3O3S/c1-7(2)5-17(6-11(16)18)21(19,20)12-9(13)3-8(15)4-10(12)14/h3-4,7H,5-6,15H2,1-2H3,(H2,16,18)
InChIKeyCHROFFSEFYIDHL-UHFFFAOYSA-N
MW443.16 g/mol
LogP1.93
Rot. Bonds6

About 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide

2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 61116167) has the molecular formula C12H17Br2N3O3S and a molecular weight of 443.16 g/mol. Its IUPAC name is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID61116167
Molecular FormulaC12H17Br2N3O3S
Molecular Weight443.16 g/mol
Exact Mass440.94
IUPAC Name2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H17Br2N3O3S/c1-7(2)5-17(6-11(16)18)21(19,20)12-9(13)3-8(15)4-10(12)14/h3-4,7H,5-6,15H2,1-2H3,(H2,16,18)
InChIKeyCHROFFSEFYIDHL-UHFFFAOYSA-N
XLogP1.93
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115052
4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
2-[(5-amino-3-methylimidazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 63978893
2-[(4-methoxy-2,5-dimethylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 47064798

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide (CID 61116167) is 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is CHROFFSEFYIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N3O3S/c1-7(2)5-17(6-11(16)18)21(19,20)12-9(13)3-8(15)4-10(12)14/h3-4,7H,5-6,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide has a molecular weight of 443.16 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,6-dibromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 61116167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).