4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C69H79Cl2N17O8S4 — CID 161389116

IUPAC4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1[nH]c2ccccc2c1CN1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H26N6O3S.C24H26N6O2S.C20H19Cl2N5O3S2.4H2/c1-18-22(21-4-2-3-5-23(21)28-18)16-25(32)31-14-12-30(13-15-31)19-6-8-20(9-7-19)35(33,34)29-24-10-11-26-17-27-24;1-18-22(21-4-2-3-5-23(21)27-18)16-29-12-14-30(15-13-29)19-6-8-20(9-7-19)33(31,32)28-24-10-11-25-17-26-24;1-13-23-20(31-24-13)25-32(29,30)16-5-3-15(4-6-16)26-8-10-27(11-9-26)19(28)17-7-2-14(21)12-18(17)22;;;;/h2-11,17,28H,12-16H2,1H3,(H,26,27,29);2-11,17,27H,12-16H2,1H3,(H,25,26,28);2-7,12H,8-11H2,1H3,(H,23,24,25);4*1H
InChIKeyVSTANZUWKKRKIM-UHFFFAOYSA-N
MW1473.68 g/mol
LogP11.25
Rot. Bonds17

About 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 161389116) has the molecular formula C69H79Cl2N17O8S4 and a molecular weight of 1473.68 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
PubChem CID161389116
Molecular FormulaC69H79Cl2N17O8S4
Molecular Weight1473.68 g/mol
Exact Mass1471.46
IUPAC Name4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1[nH]c2ccccc2c1CN1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H26N6O3S.C24H26N6O2S.C20H19Cl2N5O3S2.4H2/c1-18-22(21-4-2-3-5-23(21)28-18)16-25(32)31-14-12-30(13-15-31)19-6-8-20(9-7-19)35(33,34)29-24-10-11-26-17-27-24;1-18-22(21-4-2-3-5-23(21)27-18)16-29-12-14-30(15-13-29)19-6-8-20(9-7-19)33(31,32)28-24-10-11-25-17-26-24;1-13-23-20(31-24-13)25-32(29,30)16-5-3-15(4-6-16)26-8-10-27(11-9-26)19(28)17-7-2-14(21)12-18(17)22;;;;/h2-11,17,28H,12-16H2,1H3,(H,26,27,29);2-11,17,27H,12-16H2,1H3,(H,25,26,28);2-7,12H,8-11H2,1H3,(H,23,24,25);4*1H
InChIKeyVSTANZUWKKRKIM-UHFFFAOYSA-N
XLogP11.25
TPSA301.01 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.68
LogP ≤ 511.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 161333638
4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 159253638
2-(2-methyl-1H-indol-3-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31955040
4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465879
4-[4-[2-(6-chloroindol-1-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 159158457
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
2-(2-methyl-1H-indol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 31987168
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-(5-chloro-2-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 158050829
N-methylmethanamine;molecular hydrogen;4-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 157180122
4-[4-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465968
4-[4-[2-(2,4-difluorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59465978

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 161389116) is 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1[nH]c2ccccc2c1CN1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nsc(NS(=O)(=O)c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The InChIKey is VSTANZUWKKRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S.C24H26N6O2S.C20H19Cl2N5O3S2.4H2/c1-18-22(21-4-2-3-5-23(21)28-18)16-25(32)31-14-12-30(13-15-31)19-6-8-20(9-7-19)35(33,34)29-24-10-11-26-17-27-24;1-18-22(21-4-2-3-5-23(21)27-18)16-29-12-14-30(15-13-29)19-6-8-20(9-7-19)33(31,32)28-24-10-11-25-17-26-24;1-13-23-20(31-24-13)25-32(29,30)16-5-3-15(4-6-16)26-8-10-27(11-9-26)19(28)17-7-2-14(21)12-18(17)22;;;;/h2-11,17,28H,12-16H2,1H3,(H,26,27,29);2-11,17,27H,12-16H2,1H3,(H,25,26,28);2-7,12H,8-11H2,1H3,(H,23,24,25);4*1H.
What are the key properties of 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1473.68 g/mol, XLogP of 11.25, 17 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161389116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).