4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C19H15BrN4O3S2 — CID 1117224

IUPAC4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)no1
InChIInChI=1S/C19H15BrN4O3S2/c1-12-10-18(23-27-12)24-29(25,26)16-8-6-15(7-9-16)21-19-22-17(11-28-19)13-2-4-14(20)5-3-13/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyIKKGRGYSNXUESA-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.41
Rot. Bonds6

About 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 1117224) has the molecular formula C19H15BrN4O3S2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID1117224
Molecular FormulaC19H15BrN4O3S2
Molecular Weight491.39 g/mol
Exact Mass489.98
IUPAC Name4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)no1
InChIInChI=1S/C19H15BrN4O3S2/c1-12-10-18(23-27-12)24-29(25,26)16-8-6-15(7-9-16)21-19-22-17(11-28-19)13-2-4-14(20)5-3-13/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyIKKGRGYSNXUESA-UHFFFAOYSA-N
XLogP5.41
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 1117224) is 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)no1.
What is the InChIKey of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is IKKGRGYSNXUESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O3S2/c1-12-10-18(23-27-12)24-29(25,26)16-8-6-15(7-9-16)21-19-22-17(11-28-19)13-2-4-14(20)5-3-13/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 491.39 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 1117224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).