2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide

C12H15BrF2N2O3S — CID 61072716

IUPAC2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O3S/c1-2-3-4-17(7-11(16)18)21(19,20)12-9(13)5-8(14)6-10(12)15/h5-6H,2-4,7H2,1H3,(H2,16,18)
InChIKeyLCLZXQJTTKVDHN-UHFFFAOYSA-N
MW385.23 g/mol
LogP2.00
Rot. Bonds7

About 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide

2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide (PubChem CID 61072716) has the molecular formula C12H15BrF2N2O3S and a molecular weight of 385.23 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
PubChem CID61072716
Molecular FormulaC12H15BrF2N2O3S
Molecular Weight385.23 g/mol
Exact Mass384.00
IUPAC Name2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O3S/c1-2-3-4-17(7-11(16)18)21(19,20)12-9(13)5-8(14)6-10(12)15/h5-6H,2-4,7H2,1H3,(H2,16,18)
InChIKeyLCLZXQJTTKVDHN-UHFFFAOYSA-N
XLogP2.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61216060
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
N-(2-aminoethyl)-2-bromo-4,6-difluoro-N-methylbenzenesulfonamide
CID 62686253
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
2-[(4-aminothiophen-2-yl)sulfonyl-butylamino]acetamide
CID 61299792

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide?
The IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide (CID 61072716) is 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide.
What is the SMILES notation for 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide?
The canonical SMILES for 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide?
The InChIKey is LCLZXQJTTKVDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O3S/c1-2-3-4-17(7-11(16)18)21(19,20)12-9(13)5-8(14)6-10(12)15/h5-6H,2-4,7H2,1H3,(H2,16,18).
What are the key properties of 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide?
2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide has a molecular weight of 385.23 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-difluorophenyl)sulfonyl-butylamino]acetamide is sourced from PubChem (CID 61072716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).