2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide

C24H28N6O4S — CID 10239128

IUPAC2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(C)Cc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2)c1
InChIInChI=1S/C24H28N6O4S/c1-28(2)17-18-4-3-5-20(14-18)19-6-8-22(9-7-19)35(33,34)30-12-10-29(11-13-30)24-25-15-21(16-26-24)23(31)27-32/h3-9,14-16,32H,10-13,17H2,1-2H3,(H,27,31)
InChIKeyVSDKIEFJXLFSPU-UHFFFAOYSA-N
MW496.59 g/mol
LogP1.84
Rot. Bonds7

About 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide

2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 10239128) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID10239128
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(C)Cc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2)c1
InChIInChI=1S/C24H28N6O4S/c1-28(2)17-18-4-3-5-20(14-18)19-6-8-22(9-7-19)35(33,34)30-12-10-29(11-13-30)24-25-15-21(16-26-24)23(31)27-32/h3-9,14-16,32H,10-13,17H2,1-2H3,(H,27,31)
InChIKeyVSDKIEFJXLFSPU-UHFFFAOYSA-N
XLogP1.84
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 10239128) is 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is CN(C)Cc1cccc(-c2ccc(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)cc2)c1.
What is the InChIKey of 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is VSDKIEFJXLFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-28(2)17-18-4-3-5-20(14-18)19-6-8-22(9-7-19)35(33,34)30-12-10-29(11-13-30)24-25-15-21(16-26-24)23(31)27-32/h3-9,14-16,32H,10-13,17H2,1-2H3,(H,27,31).
What are the key properties of 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 10239128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).