4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

C69H77Cl2N17O10S3 — CID 162220136

IUPAC4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nc(-c2ccc(CN3CCN(c4ccc(S(=O)(=O)Nc5ccncn5)cc4)CC3)cc2)no1.O=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H25N7O3S.C23H24ClN5O4S.C22H22ClN5O3S.3H2/c1-18-27-24(28-34-18)20-4-2-19(3-5-20)16-30-12-14-31(15-13-30)21-6-8-22(9-7-21)35(32,33)29-23-10-11-25-17-26-23;1-17(33-20-4-2-3-18(24)15-20)23(30)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-22-9-10-25-16-26-22;23-18-3-1-2-17(14-18)15-22(29)28-12-10-27(11-13-28)19-4-6-20(7-5-19)32(30,31)26-21-8-9-24-16-25-21;;;/h2-11,17H,12-16H2,1H3,(H,25,26,29);2-10,15-17H,11-14H2,1H3,(H,25,26,27);1-9,14,16H,10-13,15H2,(H,24,25,26);3*1H
InChIKeyZTZWDOWKJDRUMC-UHFFFAOYSA-N
MW1471.59 g/mol
LogP9.57
Rot. Bonds20

About 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen

4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (PubChem CID 162220136) has the molecular formula C69H77Cl2N17O10S3 and a molecular weight of 1471.59 g/mol. Its IUPAC name is 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
PubChem CID162220136
Molecular FormulaC69H77Cl2N17O10S3
Molecular Weight1471.59 g/mol
Exact Mass1469.46
IUPAC Name4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nc(-c2ccc(CN3CCN(c4ccc(S(=O)(=O)Nc5ccncn5)cc4)CC3)cc2)no1.O=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H25N7O3S.C23H24ClN5O4S.C22H22ClN5O3S.3H2/c1-18-27-24(28-34-18)20-4-2-19(3-5-20)16-30-12-14-31(15-13-30)21-6-8-22(9-7-21)35(32,33)29-23-10-11-25-17-26-23;1-17(33-20-4-2-3-18(24)15-20)23(30)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-22-9-10-25-16-26-22;23-18-3-1-2-17(14-18)15-22(29)28-12-10-27(11-13-28)19-4-6-20(7-5-19)32(30,31)26-21-8-9-24-16-25-21;;;/h2-11,17H,12-16H2,1H3,(H,25,26,29);2-10,15-17H,11-14H2,1H3,(H,25,26,27);1-9,14,16H,10-13,15H2,(H,24,25,26);3*1H
InChIKeyZTZWDOWKJDRUMC-UHFFFAOYSA-N
XLogP9.57
TPSA317.58 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001471.59
LogP ≤ 59.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

4-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[4-(4-chloro-2-methylphenoxy)butanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 158105211
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide;4-[4-[2-(3,4-dichloroanilino)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen
CID 158107940
N-[2-(3,5-dichlorophenoxy)ethyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;N-[(E)-3-(3,5-dichlorophenyl)prop-2-enyl]-N-[4-(2-oxopropoxy)butyl]methanesulfonamide;N-[[4-(dimethylamino)phenyl]methyl]-N-[[3-(2-oxopropoxy)phenyl]methyl]pyridine-3-sulfonamide;bis(N-[[3-(2-oxopropyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide)
CID 159464242
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen (CID 162220136) is 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is CC(Oc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1nc(-c2ccc(CN3CCN(c4ccc(S(=O)(=O)Nc5ccncn5)cc4)CC3)cc2)no1.O=C(Cc1cccc(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
The InChIKey is ZTZWDOWKJDRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S.C23H24ClN5O4S.C22H22ClN5O3S.3H2/c1-18-27-24(28-34-18)20-4-2-19(3-5-20)16-30-12-14-31(15-13-30)21-6-8-22(9-7-21)35(32,33)29-23-10-11-25-17-26-23;1-17(33-20-4-2-3-18(24)15-20)23(30)29-13-11-28(12-14-29)19-5-7-21(8-6-19)34(31,32)27-22-9-10-25-16-26-22;23-18-3-1-2-17(14-18)15-22(29)28-12-10-27(11-13-28)19-4-6-20(7-5-19)32(30,31)26-21-8-9-24-16-25-21;;;/h2-11,17H,12-16H2,1H3,(H,25,26,29);2-10,15-17H,11-14H2,1H3,(H,25,26,27);1-9,14,16H,10-13,15H2,(H,24,25,26);3*1H.
What are the key properties of 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen?
4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen has a molecular weight of 1471.59 g/mol, XLogP of 9.57, 20 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 162220136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).