3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide

C18H23BrN2O5S2 — CID 24502290

IUPAC3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C18H23BrN2O5S2/c1-6-26-17-8-7-14(19)10-18(17)27(22,23)20-16-11-15(9-12(2)13(16)3)28(24,25)21(4)5/h7-11,20H,6H2,1-5H3
InChIKeyIKOOFULLSLVIQK-UHFFFAOYSA-N
MW491.43 g/mol
LogP3.52
Rot. Bonds7

About 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide

3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide (PubChem CID 24502290) has the molecular formula C18H23BrN2O5S2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide
PubChem CID24502290
Molecular FormulaC18H23BrN2O5S2
Molecular Weight491.43 g/mol
Exact Mass490.02
IUPAC Name3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C18H23BrN2O5S2/c1-6-26-17-8-7-14(19)10-18(17)27(22,23)20-16-11-15(9-12(2)13(16)3)28(24,25)21(4)5/h7-11,20H,6H2,1-5H3
InChIKeyIKOOFULLSLVIQK-UHFFFAOYSA-N
XLogP3.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
3-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24502300
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
N-[5-[[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24502312
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126
5-bromo-2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2473949

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide?
The IUPAC name of 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide (CID 24502290) is 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide?
The canonical SMILES for 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C.
What is the InChIKey of 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide?
The InChIKey is IKOOFULLSLVIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O5S2/c1-6-26-17-8-7-14(19)10-18(17)27(22,23)20-16-11-15(9-12(2)13(16)3)28(24,25)21(4)5/h7-11,20H,6H2,1-5H3.
What are the key properties of 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide?
3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide has a molecular weight of 491.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N,N,4,5-tetramethylbenzenesulfonamide is sourced from PubChem (CID 24502290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).