N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide

C20H19N3O2S — CID 142649142

IUPACN-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide
SMILESNN=Cc1cccc(-c2ccccc2NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O2S/c21-22-14-17-9-6-10-18(13-17)19-11-4-5-12-20(19)23-26(24,25)15-16-7-2-1-3-8-16/h1-14,23H,15,21H2
InChIKeyRNTCHVWJKIJZCC-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide

N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 142649142) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID142649142
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide
SMILESNN=Cc1cccc(-c2ccccc2NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O2S/c21-22-14-17-9-6-10-18(13-17)19-11-4-5-12-20(19)23-26(24,25)15-16-7-2-1-3-8-16/h1-14,23H,15,21H2
InChIKeyRNTCHVWJKIJZCC-UHFFFAOYSA-N
XLogP3.59
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide (CID 142649142) is N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide is NN=Cc1cccc(-c2ccccc2NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is RNTCHVWJKIJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c21-22-14-17-9-6-10-18(13-17)19-11-4-5-12-20(19)23-26(24,25)15-16-7-2-1-3-8-16/h1-14,23H,15,21H2.
What are the key properties of N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide?
N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methanehydrazonoylphenyl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 142649142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).