2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide

C52H64N12O8S2 — CID 158231981

About 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide

2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 158231981) has the molecular formula C52H64N12O8S2 and a molecular weight of 1049.29 g/mol. Its IUPAC name is 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
• PubChem CID: 158231981
• Molecular Formula: C52H64N12O8S2
• Molecular Weight: 1049.29 g/mol
• Exact Mass: 1048.44
• IUPAC Name: 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
• SMILES: CC(C)N(C)CCc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2)c1.CN(C)CCc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2)c1
• InChI: InChI=1S/C27H34N6O4S.C25H30N6O4S/c1-20(2)31(3)12-11-21-5-4-6-23(17-21)22-7-9-25(10-8-22)38(36,37)33-15-13-32(14-16-33)27-28-18-24(19-29-27)26(34)30-35;1-29(2)11-10-19-4-3-5-21(16-19)20-6-8-23(9-7-20)36(34,35)31-14-12-30(13-15-31)25-26-17-22(18-27-25)24(32)28-33/h4-10,17-20,35H,11-16H2,1-3H3,(H,30,34);3-9,16-18,33H,10-15H2,1-2H3,(H,28,32)
• InChIKey: GEMISYNZMZEZEH-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 237.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.29
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?

The IUPAC name of 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide (CID 158231981) is 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?

The canonical SMILES for 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide is CC(C)N(C)CCc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2)c1.CN(C)CCc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2)c1.

What is the InChIKey of 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?

The InChIKey is GEMISYNZMZEZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4S.C25H30N6O4S/c1-20(2)31(3)12-11-21-5-4-6-23(17-21)22-7-9-25(10-8-22)38(36,37)33-15-13-32(14-16-33)27-28-18-24(19-29-27)26(34)30-35;1-29(2)11-10-19-4-3-5-21(16-19)20-6-8-23(9-7-20)36(34,35)31-14-12-30(13-15-31)25-26-17-22(18-27-25)24(32)28-33/h4-10,17-20,35H,11-16H2,1-3H3,(H,30,34);3-9,16-18,33H,10-15H2,1-2H3,(H,28,32).

What are the key properties of 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide?

2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 1049.29 g/mol, XLogP of 4.53, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[4-[3-[2-[methyl(propan-2-yl)amino]ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 158231981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).