2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide

C12H18BrN3O3S — CID 71913427

IUPAC2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cc(N(C)C)ccc1Br
InChIInChI=1S/C12H18BrN3O3S/c1-4-14-12(17)8-15-20(18,19)11-7-9(16(2)3)5-6-10(11)13/h5-7,15H,4,8H2,1-3H3,(H,14,17)
InChIKeyGGBSUKCSOOURAJ-UHFFFAOYSA-N
MW364.27 g/mol
LogP0.93
Rot. Bonds6

About 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide

2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide (PubChem CID 71913427) has the molecular formula C12H18BrN3O3S and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide
PubChem CID71913427
Molecular FormulaC12H18BrN3O3S
Molecular Weight364.27 g/mol
Exact Mass363.03
IUPAC Name2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1cc(N(C)C)ccc1Br
InChIInChI=1S/C12H18BrN3O3S/c1-4-14-12(17)8-15-20(18,19)11-7-9(16(2)3)5-6-10(11)13/h5-7,15H,4,8H2,1-3H3,(H,14,17)
InChIKeyGGBSUKCSOOURAJ-UHFFFAOYSA-N
XLogP0.93
TPSA78.51 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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
CID 9224655
2-bromo-5-(dimethylamino)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716100
2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43398569
2-bromo-5-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 97331120
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-bromo-N-(cyanomethyl)-5-(dimethylamino)-N-methylbenzenesulfonamide
CID 75473158
3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224808
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
CID 43566769
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
4-bromo-3-(ethylsulfamoyl)benzenesulfonic acid
CID 175695681
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide (CID 71913427) is 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)c1cc(N(C)C)ccc1Br.
What is the InChIKey of 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide?
The InChIKey is GGBSUKCSOOURAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S/c1-4-14-12(17)8-15-20(18,19)11-7-9(16(2)3)5-6-10(11)13/h5-7,15H,4,8H2,1-3H3,(H,14,17).
What are the key properties of 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide?
2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide has a molecular weight of 364.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-5-(dimethylamino)phenyl]sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 71913427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).