3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

C24H21N3O3S2 — CID 121041538

IUPAC3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)c1
InChIInChI=1S/C24H21N3O3S2/c1-16-11-12-17(2)21(13-16)22-15-31-24(25-22)26-23(28)18-7-6-8-19(14-18)27-32(29,30)20-9-4-3-5-10-20/h3-15,27H,1-2H3,(H,25,26,28)
InChIKeyLKJMFARDDFQBNR-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.48
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 121041538) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID121041538
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)c1
InChIInChI=1S/C24H21N3O3S2/c1-16-11-12-17(2)21(13-16)22-15-31-24(25-22)26-23(28)18-7-6-8-19(14-18)27-32(29,30)20-9-4-3-5-10-20/h3-15,27H,1-2H3,(H,25,26,28)
InChIKeyLKJMFARDDFQBNR-UHFFFAOYSA-N
XLogP5.48
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042373
3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 25335438
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042376
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 3331893
N-[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 169372428
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 70789482
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587131

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 121041538) is 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)n2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LKJMFARDDFQBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-16-11-12-17(2)21(13-16)22-15-31-24(25-22)26-23(28)18-7-6-8-19(14-18)27-32(29,30)20-9-4-3-5-10-20/h3-15,27H,1-2H3,(H,25,26,28).
What are the key properties of 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 121041538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).