N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide

C12H18N4O3S — CID 46951796

IUPACN'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
SMILESCN1CCN(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C12H18N4O3S/c1-15-6-8-16(9-7-15)20(18,19)11-4-2-10(3-5-11)12(13)14-17/h2-5,17H,6-9H2,1H3,(H2,13,14)
InChIKeyFKZBLMZLIJKAIG-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.28
Rot. Bonds3

About N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide

N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide (PubChem CID 46951796) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
PubChem CID46951796
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
SMILESCN1CCN(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C12H18N4O3S/c1-15-6-8-16(9-7-15)20(18,19)11-4-2-10(3-5-11)12(13)14-17/h2-5,17H,6-9H2,1H3,(H2,13,14)
InChIKeyFKZBLMZLIJKAIG-UHFFFAOYSA-N
XLogP-0.28
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 58596086
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanethioamide
CID 79184815
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
CID 24834739
N'-hydroxy-4-methyl-3-pyrrolidin-1-ylsulfonylbenzenecarboximidamide
CID 90697951
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 34142457
N'-(3,3-dimethylbutanoyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
CID 25478585

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide (CID 46951796) is N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide is CN1CCN(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
The InChIKey is FKZBLMZLIJKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-15-6-8-16(9-7-15)20(18,19)11-4-2-10(3-5-11)12(13)14-17/h2-5,17H,6-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide?
N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide has a molecular weight of 298.37 g/mol, XLogP of -0.28, 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-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 46951796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).