N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide

C17H19N3O3S — CID 3339968

IUPACN-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide
SMILESCC(C)/N=C(/NS(=O)(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-13(2)18-16(14-9-5-3-6-10-14)19-24(22,23)20-17(21)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,18,19)(H,20,21)
InChIKeyBOCHRHSHNDXKTQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.11
Rot. Bonds5

About N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide

N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide (PubChem CID 3339968) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide
PubChem CID3339968
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide
SMILESCC(C)/N=C(/NS(=O)(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-13(2)18-16(14-9-5-3-6-10-14)19-24(22,23)20-17(21)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,18,19)(H,20,21)
InChIKeyBOCHRHSHNDXKTQ-UHFFFAOYSA-N
XLogP2.11
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide?
The IUPAC name of N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide (CID 3339968) is N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide is CC(C)/N=C(/NS(=O)(=O)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide?
The InChIKey is BOCHRHSHNDXKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13(2)18-16(14-9-5-3-6-10-14)19-24(22,23)20-17(21)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide?
N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(C-phenyl-N-propan-2-ylcarbonimidoyl)sulfamoyl]benzamide is sourced from PubChem (CID 3339968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).