N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide

C23H20N4O3S — CID 5342483

IUPACN-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-30-21-14-12-18(13-15-21)23-19(17-27(25-23)20-8-4-2-5-9-20)16-24-26-31(28,29)22-10-6-3-7-11-22/h2-17,26H,1H3/b24-16+
InChIKeyLXKBZGWGSXHUIO-LFVJCYFKSA-N
MW432.51 g/mol
LogP3.86
Rot. Bonds7

About N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide

N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide (PubChem CID 5342483) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
PubChem CID5342483
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-30-21-14-12-18(13-15-21)23-19(17-27(25-23)20-8-4-2-5-9-20)16-24-26-31(28,29)22-10-6-3-7-11-22/h2-17,26H,1H3/b24-16+
InChIKeyLXKBZGWGSXHUIO-LFVJCYFKSA-N
XLogP3.86
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide (CID 5342483) is N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide?
The InChIKey is LXKBZGWGSXHUIO-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-30-21-14-12-18(13-15-21)23-19(17-27(25-23)20-8-4-2-5-9-20)16-24-26-31(28,29)22-10-6-3-7-11-22/h2-17,26H,1H3/b24-16+.
What are the key properties of N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide?
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5342483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).