N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide

C15H15N3O3S — CID 46881306

IUPACN-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15N3O3S/c1-11(19)18-14-4-2-12(3-5-14)10-17-13-6-8-15(9-7-13)22(16,20)21/h2-10H,1H3,(H,18,19)(H2,16,20,21)/b17-10+
InChIKeyCZNAWVAEWMCXPZ-LICLKQGHSA-N
MW317.37 g/mol
LogP2.04
Rot. Bonds4

About N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide

N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide (PubChem CID 46881306) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide
PubChem CID46881306
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15N3O3S/c1-11(19)18-14-4-2-12(3-5-14)10-17-13-6-8-15(9-7-13)22(16,20)21/h2-10H,1H3,(H,18,19)(H2,16,20,21)/b17-10+
InChIKeyCZNAWVAEWMCXPZ-LICLKQGHSA-N
XLogP2.04
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide (CID 46881306) is N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide?
The InChIKey is CZNAWVAEWMCXPZ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11(19)18-14-4-2-12(3-5-14)10-17-13-6-8-15(9-7-13)22(16,20)21/h2-10H,1H3,(H,18,19)(H2,16,20,21)/b17-10+.
What are the key properties of N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide?
N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]acetamide is sourced from PubChem (CID 46881306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).