(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide

C14H12N2O4S — CID 6263676

IUPAC(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=C/S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H12N2O4S/c17-16(18)14-8-6-12(7-9-14)10-11-21(19,20)15-13-4-2-1-3-5-13/h1-11,15H/b11-10+
InChIKeyLVHLFZJMOWYKMI-ZHACJKMWSA-N
MW304.33 g/mol
LogP3.01
Rot. Bonds5

About (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide

(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide (PubChem CID 6263676) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide
PubChem CID6263676
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=C/S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C14H12N2O4S/c17-16(18)14-8-6-12(7-9-14)10-11-21(19,20)15-13-4-2-1-3-5-13/h1-11,15H/b11-10+
InChIKeyLVHLFZJMOWYKMI-ZHACJKMWSA-N
XLogP3.01
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
1-nitro-4-[2-[2-(4-nitrophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]benzene
CID 72826289
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469557
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
(E)-3-(4-nitrophenyl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 17187106
N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
CID 73447777
anilino 4-nitrobenzenesulfonate
CID 24975818

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide?
The IUPAC name of (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide (CID 6263676) is (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide.
What is the SMILES notation for (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide?
The canonical SMILES for (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide is O=[N+]([O-])c1ccc(/C=C/S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide?
The InChIKey is LVHLFZJMOWYKMI-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-16(18)14-8-6-12(7-9-14)10-11-21(19,20)15-13-4-2-1-3-5-13/h1-11,15H/b11-10+.
What are the key properties of (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide?
(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide is sourced from PubChem (CID 6263676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).