2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide

C12H17BrN2O4S — CID 17428914

IUPAC2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H17BrN2O4S/c1-3-6-14-12(16)8-15-20(17,18)11-7-9(13)4-5-10(11)19-2/h4-5,7,15H,3,6,8H2,1-2H3,(H,14,16)
InChIKeyHMQWCGMZBAXDCT-UHFFFAOYSA-N
MW365.25 g/mol
LogP1.26
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide (PubChem CID 17428914) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
PubChem CID17428914
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H17BrN2O4S/c1-3-6-14-12(16)8-15-20(17,18)11-7-9(13)4-5-10(11)19-2/h4-5,7,15H,3,6,8H2,1-2H3,(H,14,16)
InChIKeyHMQWCGMZBAXDCT-UHFFFAOYSA-N
XLogP1.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 61060914
2-[(5-bromo-2-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 61016948
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 66107574
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide (CID 17428914) is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is HMQWCGMZBAXDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-3-6-14-12(16)8-15-20(17,18)11-7-9(13)4-5-10(11)19-2/h4-5,7,15H,3,6,8H2,1-2H3,(H,14,16).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide?
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 365.25 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 17428914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).