3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide

C15H11Cl2N3O4S2 — CID 141354500

IUPAC3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide
SMILESN#Cc1cccc(S(N)(=O)=O)c1NS(=O)(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O4S2/c16-12-5-4-10(8-13(12)17)6-7-25(21,22)20-15-11(9-18)2-1-3-14(15)26(19,23)24/h1-8,20H,(H2,19,23,24)
InChIKeyAFBWYQYVYPRFLN-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.93
Rot. Bonds5

About 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide

3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide (PubChem CID 141354500) has the molecular formula C15H11Cl2N3O4S2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide
PubChem CID141354500
Molecular FormulaC15H11Cl2N3O4S2
Molecular Weight432.31 g/mol
Exact Mass430.96
IUPAC Name3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide
SMILESN#Cc1cccc(S(N)(=O)=O)c1NS(=O)(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O4S2/c16-12-5-4-10(8-13(12)17)6-7-25(21,22)20-15-11(9-18)2-1-3-14(15)26(19,23)24/h1-8,20H,(H2,19,23,24)
InChIKeyAFBWYQYVYPRFLN-UHFFFAOYSA-N
XLogP2.93
TPSA130.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide?
The IUPAC name of 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide (CID 141354500) is 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide?
The canonical SMILES for 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide is N#Cc1cccc(S(N)(=O)=O)c1NS(=O)(=O)C=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide?
The InChIKey is AFBWYQYVYPRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O4S2/c16-12-5-4-10(8-13(12)17)6-7-25(21,22)20-15-11(9-18)2-1-3-14(15)26(19,23)24/h1-8,20H,(H2,19,23,24).
What are the key properties of 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide?
3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide has a molecular weight of 432.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[2-(3,4-dichlorophenyl)ethenylsulfonylamino]benzenesulfonamide is sourced from PubChem (CID 141354500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).