(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide

C14H12Cl2N2O2S — CID 8538690

IUPAC(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
SMILESNc1c(Cl)cc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c15-12-8-11(9-13(16)14(12)17)18-21(19,20)7-6-10-4-2-1-3-5-10/h1-9,18H,17H2/b7-6+
InChIKeyXRZHZOOWOXHYQW-VOTSOKGWSA-N
MW343.24 g/mol
LogP3.99
Rot. Bonds4

About (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide

(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide (PubChem CID 8538690) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
PubChem CID8538690
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
SMILESNc1c(Cl)cc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c15-12-8-11(9-13(16)14(12)17)18-21(19,20)7-6-10-4-2-1-3-5-10/h1-9,18H,17H2/b7-6+
InChIKeyXRZHZOOWOXHYQW-VOTSOKGWSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide (CID 8538690) is (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide is Nc1c(Cl)cc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl.
What is the InChIKey of (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide?
The InChIKey is XRZHZOOWOXHYQW-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c15-12-8-11(9-13(16)14(12)17)18-21(19,20)7-6-10-4-2-1-3-5-10/h1-9,18H,17H2/b7-6+.
What are the key properties of (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide?
(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide has a molecular weight of 343.24 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 8538690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).