N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide

C27H21N3O2S — CID 3485439

IUPACN-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H21N3O2S/c31-33(32,23-16-8-3-9-17-23)29-28-20-25-24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)27(25)21-12-4-1-5-13-21/h1-20,29H
InChIKeyOZFFLBYOSHNQQY-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.61
Rot. Bonds6

About N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide

N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 3485439) has the molecular formula C27H21N3O2S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID3485439
Molecular FormulaC27H21N3O2S
Molecular Weight451.55 g/mol
Exact Mass451.14
IUPAC NameN-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C27H21N3O2S/c31-33(32,23-16-8-3-9-17-23)29-28-20-25-24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)27(25)21-12-4-1-5-13-21/h1-20,29H
InChIKeyOZFFLBYOSHNQQY-UHFFFAOYSA-N
XLogP5.61
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide (CID 3485439) is N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is OZFFLBYOSHNQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2S/c31-33(32,23-16-8-3-9-17-23)29-28-20-25-24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)27(25)21-12-4-1-5-13-21/h1-20,29H.
What are the key properties of N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide?
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3485439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).