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

C24H28N6O4S — CID 58845010

IUPAC2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(C)Cc1ccccc1-c1ccc(S(=O)(=O)N2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1
InChIInChI=1S/C24H28N6O4S/c1-28(2)17-19-5-3-4-6-22(19)18-7-9-21(10-8-18)35(33,34)30-13-11-29(12-14-30)24-25-15-20(16-26-24)23(31)27-32/h3-10,15-16,32H,11-14,17H2,1-2H3,(H,27,31)
InChIKeyPGPQOCBVZGNQSU-UHFFFAOYSA-N
MW496.59 g/mol
LogP1.84
Rot. Bonds7

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

2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 58845010) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID58845010
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESCN(C)Cc1ccccc1-c1ccc(S(=O)(=O)N2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1
InChIInChI=1S/C24H28N6O4S/c1-28(2)17-19-5-3-4-6-22(19)18-7-9-21(10-8-18)35(33,34)30-13-11-29(12-14-30)24-25-15-20(16-26-24)23(31)27-32/h3-10,15-16,32H,11-14,17H2,1-2H3,(H,27,31)
InChIKeyPGPQOCBVZGNQSU-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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Related Compounds

2-[4-[4-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 58899688
N-hydroxy-2-[4-[4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 10311892
2-[4-[3-[3-[2-(dimethylamino)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 24803669
2-[4-[[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-methylidene-oxo-λ6-sulfanyl]piperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 143641628
N-hydroxy-2-[4-[4-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58845103
N-hydroxy-2-[4-[4-[2-(morpholin-4-ylmethyl)thiophen-3-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58845150
2-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 58845105
2-[4-[4-(4a,9b-dihydrodibenzofuran-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 59264565
N-hydroxy-2-[4-[4-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58844945
N-hydroxy-2-[4-[4-[5-(morpholin-4-ylmethyl)-2,3-dihydrothiophen-4-yl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 88584489
N-(oxan-2-yloxy)-2-[4-[4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]sulfonylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 58844923
2-[4-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexa-2,4-dien-1-yl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 87273768

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 58845010) is 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is CN(C)Cc1ccccc1-c1ccc(S(=O)(=O)N2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is PGPQOCBVZGNQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-28(2)17-19-5-3-4-6-22(19)18-7-9-21(10-8-18)35(33,34)30-13-11-29(12-14-30)24-25-15-20(16-26-24)23(31)27-32/h3-10,15-16,32H,11-14,17H2,1-2H3,(H,27,31).
What are the key properties of 2-[4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[4-[4-[2-[(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-[2-[(dimethylamino)methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 58845010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).