2-[(4-bromophenyl)sulfonyl-butylamino]acetamide

C12H17BrN2O3S — CID 47204425

IUPAC2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-2-3-8-15(9-12(14)16)19(17,18)11-6-4-10(13)5-7-11/h4-7H,2-3,8-9H2,1H3,(H2,14,16)
InChIKeyMTJINGIJTBMVFD-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.73
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide

2-[(4-bromophenyl)sulfonyl-butylamino]acetamide (PubChem CID 47204425) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
PubChem CID47204425
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-2-3-8-15(9-12(14)16)19(17,18)11-6-4-10(13)5-7-11/h4-7H,2-3,8-9H2,1H3,(H2,14,16)
InChIKeyMTJINGIJTBMVFD-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
methyl 4-[(2-amino-2-oxoethyl)-butylsulfamoyl]benzoate
CID 55702922
ethyl 2-[(4-bromophenyl)sulfonyl-propylamino]acetate
CID 60520900
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2-[(3-amino-5-methylphenyl)sulfonyl-butylamino]acetamide
CID 61107191
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
N-(4-bromophenyl)sulfonyl-N-pentylacetamide
CID 146458811
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide (CID 47204425) is 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide?
The InChIKey is MTJINGIJTBMVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-2-3-8-15(9-12(14)16)19(17,18)11-6-4-10(13)5-7-11/h4-7H,2-3,8-9H2,1H3,(H2,14,16).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide?
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide has a molecular weight of 349.25 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-butylamino]acetamide is sourced from PubChem (CID 47204425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).