5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide

C17H20BrNO3S — CID 7938973

IUPAC5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H20BrNO3S/c1-4-22-16-10-7-14(18)11-17(16)23(20,21)19-15-8-5-13(6-9-15)12(2)3/h5-12,19H,4H2,1-3H3
InChIKeyNCAXTVRVKHBKBL-UHFFFAOYSA-N
MW398.32 g/mol
LogP4.77
Rot. Bonds6

About 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide

5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 7938973) has the molecular formula C17H20BrNO3S and a molecular weight of 398.32 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID7938973
Molecular FormulaC17H20BrNO3S
Molecular Weight398.32 g/mol
Exact Mass397.03
IUPAC Name5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H20BrNO3S/c1-4-22-16-10-7-14(18)11-17(16)23(20,21)19-15-8-5-13(6-9-15)12(2)3/h5-12,19H,4H2,1-3H3
InChIKeyNCAXTVRVKHBKBL-UHFFFAOYSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-N-[1-(4-bromophenyl)-2-methylpropyl]benzamide
CID 166348114
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
2-ethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 41349122
5-bromo-2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2473949
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
5-bromo-N-(2,5-dimethylphenyl)-2-ethoxybenzenesulfonamide
CID 8014730
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide
CID 28560519
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 7938973) is 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is NCAXTVRVKHBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3S/c1-4-22-16-10-7-14(18)11-17(16)23(20,21)19-15-8-5-13(6-9-15)12(2)3/h5-12,19H,4H2,1-3H3.
What are the key properties of 5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 398.32 g/mol, XLogP of 4.77, 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-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 7938973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).