N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide

C28H25N3O3S — CID 6415851

IUPACN-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(C(=N\OCc2ccccc2)/c2ccccc2)\c2ccccc2)cc1
InChIInChI=1S/C28H25N3O3S/c1-22-17-19-26(20-18-22)35(32,33)31-29-27(24-13-7-3-8-14-24)28(25-15-9-4-10-16-25)30-34-21-23-11-5-2-6-12-23/h2-20,31H,21H2,1H3/b29-27+,30-28-
InChIKeyRGPIBBFCGHGGNO-SWGBCSPSSA-N
MW483.59 g/mol
LogP5.30
Rot. Bonds9

About N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide

N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 6415851) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide
PubChem CID6415851
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC NameN-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(C(=N\OCc2ccccc2)/c2ccccc2)\c2ccccc2)cc1
InChIInChI=1S/C28H25N3O3S/c1-22-17-19-26(20-18-22)35(32,33)31-29-27(24-13-7-3-8-14-24)28(25-15-9-4-10-16-25)30-34-21-23-11-5-2-6-12-23/h2-20,31H,21H2,1H3/b29-27+,30-28-
InChIKeyRGPIBBFCGHGGNO-SWGBCSPSSA-N
XLogP5.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide (CID 6415851) is N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C(C(=N\OCc2ccccc2)/c2ccccc2)\c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is RGPIBBFCGHGGNO-SWGBCSPSSA-N. The full InChI is InChI=1S/C28H25N3O3S/c1-22-17-19-26(20-18-22)35(32,33)31-29-27(24-13-7-3-8-14-24)28(25-15-9-4-10-16-25)30-34-21-23-11-5-2-6-12-23/h2-20,31H,21H2,1H3/b29-27+,30-28-.
What are the key properties of N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide?
N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 483.59 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6415851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).