4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen

C72H83Cl2N15O11S4 — CID 158723192

IUPAC4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)cc1.Cc1ccc2c(c1)cc(C)n2C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H30N6O3S.C23H24Cl2N4O4S2.C22H23N5O4S.3H2/c1-19-4-9-25-22(16-19)17-20(2)33(25)21(3)27(34)32-14-12-31(13-15-32)23-5-7-24(8-6-23)37(35,36)30-26-10-11-28-18-29-26;24-17-3-8-21(20(25)16-17)33-14-1-2-22(30)29-12-10-28(11-13-29)18-4-6-19(7-5-18)35(31,32)27-23-26-9-15-34-23;1-31-19-7-3-17(4-8-19)21(28)27-15-13-26(14-16-27)18-5-9-20(10-6-18)32(29,30)25-22-23-11-2-12-24-22;;;/h4-11,16-18,21H,12-15H2,1-3H3,(H,28,29,30);3-9,15-16H,1-2,10-14H2,(H,26,27);2-12H,13-16H2,1H3,(H,23,24,25);3*1H
InChIKeyIKECSCJKOQZLQV-UHFFFAOYSA-N
MW1533.72 g/mol
LogP11.50
Rot. Bonds21

About 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen

4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 158723192) has the molecular formula C72H83Cl2N15O11S4 and a molecular weight of 1533.72 g/mol. Its IUPAC name is 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen
PubChem CID158723192
Molecular FormulaC72H83Cl2N15O11S4
Molecular Weight1533.72 g/mol
Exact Mass1531.47
IUPAC Name4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)cc1.Cc1ccc2c(c1)cc(C)n2C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H30N6O3S.C23H24Cl2N4O4S2.C22H23N5O4S.3H2/c1-19-4-9-25-22(16-19)17-20(2)33(25)21(3)27(34)32-14-12-31(13-15-32)23-5-7-24(8-6-23)37(35,36)30-26-10-11-28-18-29-26;24-17-3-8-21(20(25)16-17)33-14-1-2-22(30)29-12-10-28(11-13-29)18-4-6-19(7-5-18)35(31,32)27-23-26-9-15-34-23;1-31-19-7-3-17(4-8-19)21(28)27-15-13-26(14-16-27)18-5-9-20(10-6-18)32(29,30)25-22-23-11-2-12-24-22;;;/h4-11,16-18,21H,12-15H2,1-3H3,(H,28,29,30);3-9,15-16H,1-2,10-14H2,(H,26,27);2-12H,13-16H2,1H3,(H,23,24,25);3*1H
InChIKeyIKECSCJKOQZLQV-UHFFFAOYSA-N
XLogP11.50
TPSA297.00 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.72
LogP ≤ 511.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 158050829
4-[4-[2-(2,4-dichlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465995
4-[4-[2-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 59466431
4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 162198531
4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466519
4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[4-[2-(3-fluoroanilino)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(5-fluoroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158143874
4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465879
4-[4-[2-(4-chloro-2-methylphenoxy)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-piperazin-1-yl-N-pyrimidin-4-ylbenzenesulfonamide
CID 159961847
4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 159158457
4-[1-[(E)-2-(2-chlorobenzenecarboximidoyl)-3-hydroxybut-2-enoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(2-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 162092687
4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen
CID 160915689
4-[4-[2-(4-chloro-2-methylanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 71250719

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen (CID 158723192) is 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen is COc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)cc1.Cc1ccc2c(c1)cc(C)n2C(C)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen?
The InChIKey is IKECSCJKOQZLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3S.C23H24Cl2N4O4S2.C22H23N5O4S.3H2/c1-19-4-9-25-22(16-19)17-20(2)33(25)21(3)27(34)32-14-12-31(13-15-32)23-5-7-24(8-6-23)37(35,36)30-26-10-11-28-18-29-26;24-17-3-8-21(20(25)16-17)33-14-1-2-22(30)29-12-10-28(11-13-29)18-4-6-19(7-5-18)35(31,32)27-23-26-9-15-34-23;1-31-19-7-3-17(4-8-19)21(28)27-15-13-26(14-16-27)18-5-9-20(10-6-18)32(29,30)25-22-23-11-2-12-24-22;;;/h4-11,16-18,21H,12-15H2,1-3H3,(H,28,29,30);3-9,15-16H,1-2,10-14H2,(H,26,27);2-12H,13-16H2,1H3,(H,23,24,25);3*1H.
What are the key properties of 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen?
4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1533.72 g/mol, XLogP of 11.50, 21 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,4-dichlorophenoxy)butanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-(2,5-dimethylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158723192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).