N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide

C21H18N2O3S — CID 134868730

IUPACN-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide
SMILESCc1ccc(S(=O)(=O)/N=C(/NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-16-12-14-19(15-13-16)27(25,26)23-20(17-8-4-2-5-9-17)22-21(24)18-10-6-3-7-11-18/h2-15H,1H3,(H,22,23,24)
InChIKeyNCEAOKBXSLVEEU-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.56
Rot. Bonds4

About N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide

N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide (PubChem CID 134868730) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide
PubChem CID134868730
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide
SMILESCc1ccc(S(=O)(=O)/N=C(/NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-16-12-14-19(15-13-16)27(25,26)23-20(17-8-4-2-5-9-17)22-21(24)18-10-6-3-7-11-18/h2-15H,1H3,(H,22,23,24)
InChIKeyNCEAOKBXSLVEEU-UHFFFAOYSA-N
XLogP3.56
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide?
The IUPAC name of N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide (CID 134868730) is N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide.
What is the SMILES notation for N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide?
The canonical SMILES for N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide is Cc1ccc(S(=O)(=O)/N=C(/NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide?
The InChIKey is NCEAOKBXSLVEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-16-12-14-19(15-13-16)27(25,26)23-20(17-8-4-2-5-9-17)22-21(24)18-10-6-3-7-11-18/h2-15H,1H3,(H,22,23,24).
What are the key properties of N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide?
N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzamide is sourced from PubChem (CID 134868730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).