N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide

C18H21N3O6S2 — CID 58845142

IUPACN-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C18H21N3O6S2/c1-28(24,25)16-4-2-3-5-17(16)29(26,27)21-12-10-20(11-13-21)15-8-6-14(7-9-15)18(22)19-23/h2-9,23H,10-13H2,1H3,(H,19,22)
InChIKeyVVIDXBWXKNVSNF-UHFFFAOYSA-N
MW439.52 g/mol
LogP0.72
Rot. Bonds5

About N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide

N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide (PubChem CID 58845142) has the molecular formula C18H21N3O6S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide
PubChem CID58845142
Molecular FormulaC18H21N3O6S2
Molecular Weight439.52 g/mol
Exact Mass439.09
IUPAC NameN-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C18H21N3O6S2/c1-28(24,25)16-4-2-3-5-17(16)29(26,27)21-12-10-20(11-13-21)15-8-6-14(7-9-15)18(22)19-23/h2-9,23H,10-13H2,1H3,(H,19,22)
InChIKeyVVIDXBWXKNVSNF-UHFFFAOYSA-N
XLogP0.72
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
CID 58845026
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide
CID 18413944
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4089871
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-[4-(2,3-dimethylphenyl)phenyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 122651374
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide?
The IUPAC name of N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide (CID 58845142) is N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide is CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C(=O)NO)cc2)CC1.
What is the InChIKey of N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide?
The InChIKey is VVIDXBWXKNVSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S2/c1-28(24,25)16-4-2-3-5-17(16)29(26,27)21-12-10-20(11-13-21)15-8-6-14(7-9-15)18(22)19-23/h2-9,23H,10-13H2,1H3,(H,19,22).
What are the key properties of N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide?
N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide is sourced from PubChem (CID 58845142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).