5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide

C16H18BrNO3S — CID 8014730

IUPAC5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H18BrNO3S/c1-4-21-15-8-7-13(17)10-16(15)22(19,20)18-14-9-11(2)5-6-12(14)3/h5-10,18H,4H2,1-3H3
InChIKeyCVZPAYGDRPMLAK-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.27
Rot. Bonds5

About 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide

5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide (PubChem CID 8014730) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
PubChem CID8014730
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H18BrNO3S/c1-4-21-15-8-7-13(17)10-16(15)22(19,20)18-14-9-11(2)5-6-12(14)3/h5-10,18H,4H2,1-3H3
InChIKeyCVZPAYGDRPMLAK-UHFFFAOYSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide
CID 24502290
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide (CID 8014730) is 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide?
The InChIKey is CVZPAYGDRPMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-4-21-15-8-7-13(17)10-16(15)22(19,20)18-14-9-11(2)5-6-12(14)3/h5-10,18H,4H2,1-3H3.
What are the key properties of 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide?
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 8014730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).