(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide

C15H14INO2S — CID 26950528

IUPAC(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
SMILESCc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1I
InChIInChI=1S/C15H14INO2S/c1-12-7-8-14(11-15(12)16)17-20(18,19)10-9-13-5-3-2-4-6-13/h2-11,17H,1H3/b10-9+
InChIKeyWZAHVHZDRQTAKP-MDZDMXLPSA-N
MW399.25 g/mol
LogP4.01
Rot. Bonds4

About (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide

(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide (PubChem CID 26950528) has the molecular formula C15H14INO2S and a molecular weight of 399.25 g/mol. Its IUPAC name is (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
PubChem CID26950528
Molecular FormulaC15H14INO2S
Molecular Weight399.25 g/mol
Exact Mass398.98
IUPAC Name(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
SMILESCc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1I
InChIInChI=1S/C15H14INO2S/c1-12-7-8-14(11-15(12)16)17-20(18,19)10-9-13-5-3-2-4-6-13/h2-11,17H,1H3/b10-9+
InChIKeyWZAHVHZDRQTAKP-MDZDMXLPSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
N-(5-acetamido-2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55692087
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
N-(2-fluorophenyl)-2-methyl-5-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
CID 26950186
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 75535525
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide
CID 8603510
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 72690490
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 24867440

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide (CID 26950528) is (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide is Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1I.
What is the InChIKey of (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide?
The InChIKey is WZAHVHZDRQTAKP-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14INO2S/c1-12-7-8-14(11-15(12)16)17-20(18,19)10-9-13-5-3-2-4-6-13/h2-11,17H,1H3/b10-9+.
What are the key properties of (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide?
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide has a molecular weight of 399.25 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 26950528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).