N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide

C12H17N3O4S — CID 11231850

IUPACN-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
SMILESCS(=O)(=O)N1CCN(c2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C12H17N3O4S/c1-20(18,19)15-8-6-14(7-9-15)11-4-2-10(3-5-11)12(16)13-17/h2-5,17H,6-9H2,1H3,(H,13,16)
InChIKeyMHKQIRYSDHJDHW-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.11
Rot. Bonds3

About N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide

N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide (PubChem CID 11231850) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
PubChem CID11231850
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
SMILESCS(=O)(=O)N1CCN(c2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C12H17N3O4S/c1-20(18,19)15-8-6-14(7-9-15)11-4-2-10(3-5-11)12(16)13-17/h2-5,17H,6-9H2,1H3,(H,13,16)
InChIKeyMHKQIRYSDHJDHW-UHFFFAOYSA-N
XLogP-0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide
CID 58845142
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
ethyl 4-(4-methylsulfonylpiperazin-1-yl)benzoate
CID 110672935
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-hydroxybenzamide
CID 58845026
3-bromo-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1421697
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
potassium;hydride;(E)-3-[4-[(E)-3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid
CID 173041796
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62994333
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
CID 67206897
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-hydroxybenzamide
CID 18413944

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
The IUPAC name of N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide (CID 11231850) is N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
The canonical SMILES for N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide is CS(=O)(=O)N1CCN(c2ccc(C(=O)NO)cc2)CC1.
What is the InChIKey of N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
The InChIKey is MHKQIRYSDHJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-20(18,19)15-8-6-14(7-9-15)11-4-2-10(3-5-11)12(16)13-17/h2-5,17H,6-9H2,1H3,(H,13,16).
What are the key properties of N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide has a molecular weight of 299.35 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide is sourced from PubChem (CID 11231850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).