N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide

C16H16BrNO4S — CID 2126237

IUPACN-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H16BrNO4S/c1-3-22-15-8-7-13(17)10-16(15)23(20,21)18-14-6-4-5-12(9-14)11(2)19/h4-10,18H,3H2,1-2H3
InChIKeyJMYTUCIJNDQZIK-UHFFFAOYSA-N
MW398.28 g/mol
LogP3.85
Rot. Bonds6

About N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide

N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide (PubChem CID 2126237) has the molecular formula C16H16BrNO4S and a molecular weight of 398.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
PubChem CID2126237
Molecular FormulaC16H16BrNO4S
Molecular Weight398.28 g/mol
Exact Mass397.00
IUPAC NameN-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H16BrNO4S/c1-3-22-15-8-7-13(17)10-16(15)23(20,21)18-14-6-4-5-12(9-14)11(2)19/h4-10,18H,3H2,1-2H3
InChIKeyJMYTUCIJNDQZIK-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
3-[(5-chloro-2-ethoxyphenyl)sulfonylamino]benzoic acid
CID 15943963
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
CID 22515885
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 2432126
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide
CID 166348114
3-[(3-tert-butyl-4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 39845160

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide (CID 2126237) is N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide?
The InChIKey is JMYTUCIJNDQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4S/c1-3-22-15-8-7-13(17)10-16(15)23(20,21)18-14-6-4-5-12(9-14)11(2)19/h4-10,18H,3H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide?
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide has a molecular weight of 398.28 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 2126237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).