2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide

C13H19BrN2O3S — CID 155100757

IUPAC2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide
SMILESCCNS(=O)(=O)c1cc(CC(=O)NC(C)C)ccc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-4-15-20(18,19)12-7-10(5-6-11(12)14)8-13(17)16-9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyWHOQQFUYWCGXSB-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.81
Rot. Bonds6

About 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide

2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide (PubChem CID 155100757) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide
PubChem CID155100757
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide
SMILESCCNS(=O)(=O)c1cc(CC(=O)NC(C)C)ccc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-4-15-20(18,19)12-7-10(5-6-11(12)14)8-13(17)16-9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyWHOQQFUYWCGXSB-UHFFFAOYSA-N
XLogP1.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide (CID 155100757) is 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide is CCNS(=O)(=O)c1cc(CC(=O)NC(C)C)ccc1Br.
What is the InChIKey of 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide?
The InChIKey is WHOQQFUYWCGXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-4-15-20(18,19)12-7-10(5-6-11(12)14)8-13(17)16-9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide?
2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide has a molecular weight of 363.28 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(ethylsulfamoyl)phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 155100757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).