N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide

C23H20N4O2S — CID 5497333

IUPACN-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2S/c1-18-12-14-22(15-13-18)30(28,29)26-24-16-20-17-27(21-10-6-3-7-11-21)25-23(20)19-8-4-2-5-9-19/h2-17,26H,1H3/b24-16-
InChIKeyZBZFBHAQOYYOLJ-JLPGSUDCSA-N
MW416.51 g/mol
LogP4.16
Rot. Bonds6

About N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 5497333) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID5497333
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2S/c1-18-12-14-22(15-13-18)30(28,29)26-24-16-20-17-27(21-10-6-3-7-11-21)25-23(20)19-8-4-2-5-9-19/h2-17,26H,1H3/b24-16-
InChIKeyZBZFBHAQOYYOLJ-JLPGSUDCSA-N
XLogP4.16
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 5497333) is N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is ZBZFBHAQOYYOLJ-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-18-12-14-22(15-13-18)30(28,29)26-24-16-20-17-27(21-10-6-3-7-11-21)25-23(20)19-8-4-2-5-9-19/h2-17,26H,1H3/b24-16-.
What are the key properties of N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 416.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5497333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).