4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide

C14H22N4O4S — CID 9205648

IUPAC4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O4S/c1-16-8-10-18(11-9-16)15-14(19)12-4-6-13(7-5-12)23(20,21)17(2)22-3/h4-7H,8-11H2,1-3H3,(H,15,19)
InChIKeyXXYIMDFILUMQGS-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.24
Rot. Bonds5

About 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide

4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 9205648) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID9205648
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O4S/c1-16-8-10-18(11-9-16)15-14(19)12-4-6-13(7-5-12)23(20,21)17(2)22-3/h4-7H,8-11H2,1-3H3,(H,15,19)
InChIKeyXXYIMDFILUMQGS-UHFFFAOYSA-N
XLogP-0.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
4-(methoxymethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9205030
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451
N-cyclooctyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 17490358
4-[methoxy(methyl)sulfamoyl]benzamide
CID 47116565
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 46463867
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943976
N-methoxy-N-methyl-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9224243
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide (CID 9205648) is 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is XXYIMDFILUMQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-16-8-10-18(11-9-16)15-14(19)12-4-6-13(7-5-12)23(20,21)17(2)22-3/h4-7H,8-11H2,1-3H3,(H,15,19).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 342.42 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 9205648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).