N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide

C21H17N3O2S — CID 136852078

IUPACN-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-27(26,17-11-5-2-6-12-17)24-22-15-19-18-13-7-8-14-20(18)23-21(19)16-9-3-1-4-10-16/h1-15,23-24H/b22-15-
InChIKeyZFSPIZNXYGLUOU-JCMHNJIXSA-N
MW375.45 g/mol
LogP4.15
Rot. Bonds5

About N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide

N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 136852078) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID136852078
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-27(26,17-11-5-2-6-12-17)24-22-15-19-18-13-7-8-14-20(18)23-21(19)16-9-3-1-4-10-16/h1-15,23-24H/b22-15-
InChIKeyZFSPIZNXYGLUOU-JCMHNJIXSA-N
XLogP4.15
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate
CID 135556740
N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 118908821
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4854849
2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline
CID 137226357
2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135674723
1-cyclohexyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135758726
3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729400
3-nitro-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135590888
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide (CID 136852078) is N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is ZFSPIZNXYGLUOU-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-27(26,17-11-5-2-6-12-17)24-22-15-19-18-13-7-8-14-20(18)23-21(19)16-9-3-1-4-10-16/h1-15,23-24H/b22-15-.
What are the key properties of N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide?
N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 136852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).