N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide

C24H18ClN3O4S2 — CID 121042716

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/C24H18ClN3O4S2/c1-15(29)22-21(16-6-3-2-4-7-16)26-24(33-22)27-23(30)17-8-5-9-19(14-17)28-34(31,32)20-12-10-18(25)11-13-20/h2-14,28H,1H3,(H,26,27,30)
InChIKeyVZTXLRBZQLOVKF-UHFFFAOYSA-N
MW512.01 g/mol
LogP5.72
Rot. Bonds7

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 121042716) has the molecular formula C24H18ClN3O4S2 and a molecular weight of 512.01 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID121042716
Molecular FormulaC24H18ClN3O4S2
Molecular Weight512.01 g/mol
Exact Mass511.04
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESCC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/C24H18ClN3O4S2/c1-15(29)22-21(16-6-3-2-4-7-16)26-24(33-22)27-23(30)17-8-5-9-19(14-17)28-34(31,32)20-12-10-18(25)11-13-20/h2-14,28H,1H3,(H,26,27,30)
InChIKeyVZTXLRBZQLOVKF-UHFFFAOYSA-N
XLogP5.72
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.01
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
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3-[(4-chlorophenyl)sulfonylamino]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 121042912
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
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N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651503
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 41018254
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
CID 26196494
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide (CID 121042716) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide is CC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is VZTXLRBZQLOVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O4S2/c1-15(29)22-21(16-6-3-2-4-7-16)26-24(33-22)27-23(30)17-8-5-9-19(14-17)28-34(31,32)20-12-10-18(25)11-13-20/h2-14,28H,1H3,(H,26,27,30).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 512.01 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121042716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).