2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide

C12H16BrClN2O3S — CID 106545765

IUPAC2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16BrClN2O3S/c1-3-16(4-2)12(17)8-15-20(18,19)9-5-6-11(14)10(13)7-9/h5-7,15H,3-4,8H2,1-2H3
InChIKeyOXLGTDADTIHTII-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.25
Rot. Bonds6

About 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide

2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide (PubChem CID 106545765) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
PubChem CID106545765
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H16BrClN2O3S/c1-3-16(4-2)12(17)8-15-20(18,19)9-5-6-11(14)10(13)7-9/h5-7,15H,3-4,8H2,1-2H3
InChIKeyOXLGTDADTIHTII-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 106546806
N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
CID 55433934
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570
ethyl 4-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoate
CID 106545378
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
3-bromo-4-chloro-N-ethoxybenzenesulfonamide
CID 106605703
3-bromo-4-chloro-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106546881
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 114626087

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide (CID 106545765) is 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
The InChIKey is OXLGTDADTIHTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-3-16(4-2)12(17)8-15-20(18,19)9-5-6-11(14)10(13)7-9/h5-7,15H,3-4,8H2,1-2H3.
What are the key properties of 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide?
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide has a molecular weight of 383.70 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide is sourced from PubChem (CID 106545765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).