2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide

C13H19BrN2O3S — CID 22301493

IUPAC2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O3S/c1-3-16(4-2)13(17)9-15-20(18,19)10-11-6-5-7-12(14)8-11/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyDKHYMFOHBHMCDQ-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.74
Rot. Bonds7

About 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide

2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide (PubChem CID 22301493) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide
PubChem CID22301493
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O3S/c1-3-16(4-2)13(17)9-15-20(18,19)10-11-6-5-7-12(14)8-11/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyDKHYMFOHBHMCDQ-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
2-[(3-bromophenyl)methylsulfonylamino]-3-methylbutanoic acid
CID 122067840
1-(3-bromophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 100572279
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
1-(3-bromophenyl)-N-(3-methylbutan-2-yl)methanesulfonamide
CID 133250176
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771726
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide (CID 22301493) is 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNS(=O)(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide?
The InChIKey is DKHYMFOHBHMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-3-16(4-2)13(17)9-15-20(18,19)10-11-6-5-7-12(14)8-11/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide?
2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide has a molecular weight of 363.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide is sourced from PubChem (CID 22301493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).