2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide

C12H17BrN2O3S — CID 104922529

IUPAC2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H17BrN2O3S/c1-4-15(3)12(16)8-14-19(17,18)11-7-10(13)6-5-9(11)2/h5-7,14H,4,8H2,1-3H3
InChIKeyDUIQTQQLPDXKKZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.51
Rot. Bonds5

About 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide

2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide (PubChem CID 104922529) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide
PubChem CID104922529
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C12H17BrN2O3S/c1-4-15(3)12(16)8-14-19(17,18)11-7-10(13)6-5-9(11)2/h5-7,14H,4,8H2,1-3H3
InChIKeyDUIQTQQLPDXKKZ-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842
5-bromo-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 62045684
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
CID 8798603
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-4-methylbenzoic acid
CID 43214883
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
3-[[(5-bromo-2-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 81066818

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide (CID 104922529) is 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNS(=O)(=O)c1cc(Br)ccc1C.
What is the InChIKey of 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide?
The InChIKey is DUIQTQQLPDXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-4-15(3)12(16)8-14-19(17,18)11-7-10(13)6-5-9(11)2/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide?
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide has a molecular weight of 349.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104922529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).