5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide

C18H16BrNO3S — CID 2394336

IUPAC5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H16BrNO3S/c1-2-23-17-11-10-14(19)12-18(17)24(21,22)20-16-9-5-7-13-6-3-4-8-15(13)16/h3-12,20H,2H2,1H3
InChIKeyNTACYXOEEZXHEM-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.80
Rot. Bonds5

About 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide

5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 2394336) has the molecular formula C18H16BrNO3S and a molecular weight of 406.30 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID2394336
Molecular FormulaC18H16BrNO3S
Molecular Weight406.30 g/mol
Exact Mass405.00
IUPAC Name5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H16BrNO3S/c1-2-23-17-11-10-14(19)12-18(17)24(21,22)20-16-9-5-7-13-6-3-4-8-15(13)16/h3-12,20H,2H2,1H3
InChIKeyNTACYXOEEZXHEM-UHFFFAOYSA-N
XLogP4.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 2432126
5-bromo-2-ethoxy-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17440973
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
5-bromo-2-ethoxy-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 43988626
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide (CID 2394336) is 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2ccccc12.
What is the InChIKey of 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is NTACYXOEEZXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3S/c1-2-23-17-11-10-14(19)12-18(17)24(21,22)20-16-9-5-7-13-6-3-4-8-15(13)16/h3-12,20H,2H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide?
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 406.30 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 2394336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).