4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C17H15BrN2O2S2 — CID 5076163

IUPAC4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H15BrN2O2S2/c1-2-12-3-5-13(6-4-12)16-11-23-17(19-16)20-24(21,22)15-9-7-14(18)8-10-15/h3-11H,2H2,1H3,(H,19,20)
InChIKeyVFYMDEQWOVMZMP-UHFFFAOYSA-N
MW423.36 g/mol
LogP4.94
Rot. Bonds5

About 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 5076163) has the molecular formula C17H15BrN2O2S2 and a molecular weight of 423.36 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID5076163
Molecular FormulaC17H15BrN2O2S2
Molecular Weight423.36 g/mol
Exact Mass421.98
IUPAC Name4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H15BrN2O2S2/c1-2-12-3-5-13(6-4-12)16-11-23-17(19-16)20-24(21,22)15-9-7-14(18)8-10-15/h3-11H,2H2,1H3,(H,19,20)
InChIKeyVFYMDEQWOVMZMP-UHFFFAOYSA-N
XLogP4.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
3-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 35395974
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
CID 18870687
N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 3939930
methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 100741988
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 5076163) is 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is VFYMDEQWOVMZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S2/c1-2-12-3-5-13(6-4-12)16-11-23-17(19-16)20-24(21,22)15-9-7-14(18)8-10-15/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 423.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 5076163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).