2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide

C12H18BrN3O3S — CID 115328962

IUPAC2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C12H18BrN3O3S/c1-8(2)6-16(7-12(15)17)20(18,19)9-3-4-10(13)11(14)5-9/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyJPIZZWBEXPPUOW-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.16
Rot. Bonds6

About 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide

2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 115328962) has the molecular formula C12H18BrN3O3S and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID115328962
Molecular FormulaC12H18BrN3O3S
Molecular Weight364.27 g/mol
Exact Mass363.03
IUPAC Name2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C12H18BrN3O3S/c1-8(2)6-16(7-12(15)17)20(18,19)9-3-4-10(13)11(14)5-9/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyJPIZZWBEXPPUOW-UHFFFAOYSA-N
XLogP1.16
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.16
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-(2-methylpropyl)amino]acetamide
CID 61116167
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115052
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide
CID 106546067
3-amino-4-bromo-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 113288288
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
2-[(3-bromo-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034430
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide
CID 18165466
2-[(3-amino-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576035

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide (CID 115328962) is 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is JPIZZWBEXPPUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S/c1-8(2)6-16(7-12(15)17)20(18,19)9-3-4-10(13)11(14)5-9/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide has a molecular weight of 364.27 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 115328962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).