5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide

C15H13BrN2O3S — CID 7939000

IUPAC5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H13BrN2O3S/c1-2-21-14-8-5-12(16)9-15(14)22(19,20)18-13-6-3-11(10-17)4-7-13/h3-9,18H,2H2,1H3
InChIKeyIHBYTXNDQGUWDQ-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.52
Rot. Bonds5

About 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide

5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide (PubChem CID 7939000) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
PubChem CID7939000
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H13BrN2O3S/c1-2-21-14-8-5-12(16)9-15(14)22(19,20)18-13-6-3-11(10-17)4-7-13/h3-9,18H,2H2,1H3
InChIKeyIHBYTXNDQGUWDQ-UHFFFAOYSA-N
XLogP3.52
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
5-bromo-2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2473949
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
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-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-bromo-2-ethoxy-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072952
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide
CID 166348114
3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide
CID 24502290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide (CID 7939000) is 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide?
The InChIKey is IHBYTXNDQGUWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-2-21-14-8-5-12(16)9-15(14)22(19,20)18-13-6-3-11(10-17)4-7-13/h3-9,18H,2H2,1H3.
What are the key properties of 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide?
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide has a molecular weight of 381.25 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 7939000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).