4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H18Cl2N4O3S2 — CID 59465879

IUPAC4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C20H18Cl2N4O3S2/c21-14-1-6-17(18(22)13-14)19(27)26-10-8-25(9-11-26)15-2-4-16(5-3-15)31(28,29)24-20-23-7-12-30-20/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyIWARZPCMUIYMHA-UHFFFAOYSA-N
MW497.43 g/mol
LogP4.21
Rot. Bonds5

About 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59465879) has the molecular formula C20H18Cl2N4O3S2 and a molecular weight of 497.43 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59465879
Molecular FormulaC20H18Cl2N4O3S2
Molecular Weight497.43 g/mol
Exact Mass496.02
IUPAC Name4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1
InChIInChI=1S/C20H18Cl2N4O3S2/c21-14-1-6-17(18(22)13-14)19(27)26-10-8-25(9-11-26)15-2-4-16(5-3-15)31(28,29)24-20-23-7-12-30-20/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyIWARZPCMUIYMHA-UHFFFAOYSA-N
XLogP4.21
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-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

Related Compounds

2-(2,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide;N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 161412345
4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466519
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465896
4-[4-[2-(5-fluoro-2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215380
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 161333638
4-[(3S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158035543
4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161476283
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25405806
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158509244
4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 89403897

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59465879) is 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.
What is the InChIKey of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IWARZPCMUIYMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3S2/c21-14-1-6-17(18(22)13-14)19(27)26-10-8-25(9-11-26)15-2-4-16(5-3-15)31(28,29)24-20-23-7-12-30-20/h1-7,12-13H,8-11H2,(H,23,24).
What are the key properties of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 497.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59465879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).