2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide

C12H16Br2N2O3S — CID 47318380

IUPAC2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-2-3-6-16(8-12(15)17)20(18,19)11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3,(H2,15,17)
InChIKeyPNWFBLHDNYDNEP-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.49
Rot. Bonds7

About 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide

2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide (PubChem CID 47318380) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
PubChem CID47318380
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-2-3-6-16(8-12(15)17)20(18,19)11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3,(H2,15,17)
InChIKeyPNWFBLHDNYDNEP-UHFFFAOYSA-N
XLogP2.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
4-[(2-amino-2-oxoethyl)-propylsulfamoyl]-3-bromobenzoic acid
CID 136544396
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
5-bromo-2-[4-bromo-2-(dibutylsulfamoyl)phenyl]benzenesulfonamide
CID 66619210
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
CID 61072716
2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide
CID 103989074

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide (CID 47318380) is 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide?
The InChIKey is PNWFBLHDNYDNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-2-3-6-16(8-12(15)17)20(18,19)11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3,(H2,15,17).
What are the key properties of 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide?
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide has a molecular weight of 428.15 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 47318380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).