4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C23H18ClN3O3S2 — CID 70789534

IUPAC4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)ccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O3S2/c1-15-7-10-18(11-8-15)32(29,30)27-20-13-17(9-12-19(20)24)22(28)26-23-25-21(14-31-23)16-5-3-2-4-6-16/h2-14,27H,1H3,(H,25,26,28)
InChIKeyZPFUYQSUWRREPC-UHFFFAOYSA-N
MW484.00 g/mol
LogP5.83
Rot. Bonds6

About 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 70789534) has the molecular formula C23H18ClN3O3S2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID70789534
Molecular FormulaC23H18ClN3O3S2
Molecular Weight484.00 g/mol
Exact Mass483.05
IUPAC Name4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)ccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O3S2/c1-15-7-10-18(11-8-15)32(29,30)27-20-13-17(9-12-19(20)24)22(28)26-23-25-21(14-31-23)16-5-3-2-4-6-16/h2-14,27H,1H3,(H,25,26,28)
InChIKeyZPFUYQSUWRREPC-UHFFFAOYSA-N
XLogP5.83
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 70789482
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789474
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 71768251
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
3-[(4-methylphenyl)sulfonylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 70789554
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 121042373
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 70789534) is 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZPFUYQSUWRREPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S2/c1-15-7-10-18(11-8-15)32(29,30)27-20-13-17(9-12-19(20)24)22(28)26-23-25-21(14-31-23)16-5-3-2-4-6-16/h2-14,27H,1H3,(H,25,26,28).
What are the key properties of 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 484.00 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 70789534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).