2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

C15H16N2O5S2 — CID 42644131

IUPAC2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H16N2O5S2/c1-22-13-8-6-12(7-9-13)10-11-23(18,19)17-14-4-2-3-5-15(14)24(16,20)21/h2-11,17H,1H3,(H2,16,20,21)/b11-10+
InChIKeyMAYHYHDIWBDOHI-ZHACJKMWSA-N
MW368.44 g/mol
LogP1.76
Rot. Bonds6

About 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide

2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42644131) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42644131
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H16N2O5S2/c1-22-13-8-6-12(7-9-13)10-11-23(18,19)17-14-4-2-3-5-15(14)24(16,20)21/h2-11,17H,1H3,(H2,16,20,21)/b11-10+
InChIKeyMAYHYHDIWBDOHI-ZHACJKMWSA-N
XLogP1.76
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide (CID 42644131) is 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is COc1ccc(/C=C/S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is MAYHYHDIWBDOHI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-22-13-8-6-12(7-9-13)10-11-23(18,19)17-14-4-2-3-5-15(14)24(16,20)21/h2-11,17H,1H3,(H2,16,20,21)/b11-10+.
What are the key properties of 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide?
2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 368.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42644131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).