4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide

C20H16N2O4S — CID 135072639

IUPAC4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O4S/c23-22(24)19-11-13-20(14-12-19)27(25,26)21(18-9-5-2-6-10-18)16-15-17-7-3-1-4-8-17/h1-16H/b16-15+
InChIKeyVRVVHLFSMVTBTN-FOCLMDBBSA-N
MW380.43 g/mol
LogP4.46
Rot. Bonds6

About 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide

4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide (PubChem CID 135072639) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide
PubChem CID135072639
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O4S/c23-22(24)19-11-13-20(14-12-19)27(25,26)21(18-9-5-2-6-10-18)16-15-17-7-3-1-4-8-17/h1-16H/b16-15+
InChIKeyVRVVHLFSMVTBTN-FOCLMDBBSA-N
XLogP4.46
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide?
The IUPAC name of 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide (CID 135072639) is 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide?
The canonical SMILES for 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N(/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide?
The InChIKey is VRVVHLFSMVTBTN-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-22(24)19-11-13-20(14-12-19)27(25,26)21(18-9-5-2-6-10-18)16-15-17-7-3-1-4-8-17/h1-16H/b16-15+.
What are the key properties of 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide?
4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide is sourced from PubChem (CID 135072639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).