2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide

C14H14N2O4S2 — CID 6186872

IUPAC2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1/C=C/c1ccccc1S(N)(=O)=O
InChIInChI=1S/C14H14N2O4S2/c15-21(17,18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)22(16,19)20/h1-10H,(H2,15,17,18)(H2,16,19,20)/b10-9+
InChIKeyDYIVXJTVYOACKX-MDZDMXLPSA-N
MW338.41 g/mol
LogP1.15
Rot. Bonds4

About 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide

2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide (PubChem CID 6186872) has the molecular formula C14H14N2O4S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
PubChem CID6186872
Molecular FormulaC14H14N2O4S2
Molecular Weight338.41 g/mol
Exact Mass338.04
IUPAC Name2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1/C=C/c1ccccc1S(N)(=O)=O
InChIInChI=1S/C14H14N2O4S2/c15-21(17,18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)22(16,19)20/h1-10H,(H2,15,17,18)(H2,16,19,20)/b10-9+
InChIKeyDYIVXJTVYOACKX-MDZDMXLPSA-N
XLogP1.15
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethenyl)benzenesulfonamide
CID 149433310
2-(3,3-dimethylbut-1-enyl)benzenesulfonamide
CID 157318662
2-(3-azidoprop-1-enyl)benzenesulfonamide
CID 169462115
2-methylbenzenesulfonamide
CID 6924
2-sulfanylbenzenesulfonamide
CID 11041532
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
2-[(E)-2-(4-aminophenyl)ethenyl]benzenesulfonic acid
CID 11448748
3-(2-methylsulfonylphenyl)prop-2-en-1-amine
CID 131406462
2-[(E)-2-fluoroethenyl]benzenesulfonic acid
CID 87155479
2-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]benzenesulfonic acid
CID 58971886
thiocyanato 2-[2-(2-thiocyanatooxysulfonylphenyl)ethenyl]benzenesulfonate
CID 175056698

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide?
The IUPAC name of 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide (CID 6186872) is 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide.
What is the SMILES notation for 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide?
The canonical SMILES for 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1/C=C/c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide?
The InChIKey is DYIVXJTVYOACKX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H14N2O4S2/c15-21(17,18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)22(16,19)20/h1-10H,(H2,15,17,18)(H2,16,19,20)/b10-9+.
What are the key properties of 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide?
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 6186872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).