5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide

C16H18BrNO3S — CID 2236441

IUPAC5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C16H18BrNO3S/c1-3-12-5-8-14(9-6-12)18-22(19,20)16-11-13(17)7-10-15(16)21-4-2/h5-11,18H,3-4H2,1-2H3
InChIKeyUHCGGGGAOVMJQU-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.21
Rot. Bonds6

About 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide

5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide (PubChem CID 2236441) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
PubChem CID2236441
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C16H18BrNO3S/c1-3-12-5-8-14(9-6-12)18-22(19,20)16-11-13(17)7-10-15(16)21-4-2/h5-11,18H,3-4H2,1-2H3
InChIKeyUHCGGGGAOVMJQU-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
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-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
1-[4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]phenyl]-3-(thiophen-2-ylmethyl)thiourea
CID 2099520
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide
CID 166348114
[2-(cycloheptylamino)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate
CID 4107437
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide (CID 2236441) is 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(CC)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is UHCGGGGAOVMJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-3-12-5-8-14(9-6-12)18-22(19,20)16-11-13(17)7-10-15(16)21-4-2/h5-11,18H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 4.21, 6 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-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 2236441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).