4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide

C15H13ClN2O3S — CID 6213409

IUPAC4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O3S/c16-13-5-1-11(2-6-13)9-10-22(20,21)18-14-7-3-12(4-8-14)15(17)19/h1-10,18H,(H2,17,19)/b10-9+
InChIKeyVUOGGBINMJZWLZ-MDZDMXLPSA-N
MW336.80 g/mol
LogP2.85
Rot. Bonds5

About 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide

4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide (PubChem CID 6213409) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
PubChem CID6213409
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O3S/c16-13-5-1-11(2-6-13)9-10-22(20,21)18-14-7-3-12(4-8-14)15(17)19/h1-10,18H,(H2,17,19)/b10-9+
InChIKeyVUOGGBINMJZWLZ-MDZDMXLPSA-N
XLogP2.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide?
The IUPAC name of 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide (CID 6213409) is 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide.
What is the SMILES notation for 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide?
The canonical SMILES for 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide is NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide?
The InChIKey is VUOGGBINMJZWLZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-13-5-1-11(2-6-13)9-10-22(20,21)18-14-7-3-12(4-8-14)15(17)19/h1-10,18H,(H2,17,19)/b10-9+.
What are the key properties of 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide?
4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide has a molecular weight of 336.80 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 6213409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).