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

C16H13BrN2O2S2 — CID 1359200

IUPAC4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H13BrN2O2S2/c1-11-2-4-12(5-3-11)15-10-22-16(18-15)19-23(20,21)14-8-6-13(17)7-9-14/h2-10H,1H3,(H,18,19)
InChIKeyPMKUKGRPSJCREC-UHFFFAOYSA-N
MW409.33 g/mol
LogP4.68
Rot. Bonds4

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

4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 1359200) has the molecular formula C16H13BrN2O2S2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID1359200
Molecular FormulaC16H13BrN2O2S2
Molecular Weight409.33 g/mol
Exact Mass407.96
IUPAC Name4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H13BrN2O2S2/c1-11-2-4-12(5-3-11)15-10-22-16(18-15)19-23(20,21)14-8-6-13(17)7-9-14/h2-10H,1H3,(H,18,19)
InChIKeyPMKUKGRPSJCREC-UHFFFAOYSA-N
XLogP4.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 54.68
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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
CID 18870687
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 43853538
N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25036163
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 1359200) is 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is PMKUKGRPSJCREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S2/c1-11-2-4-12(5-3-11)15-10-22-16(18-15)19-23(20,21)14-8-6-13(17)7-9-14/h2-10H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 409.33 g/mol, XLogP of 4.68, 4 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-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 1359200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).