4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide

C14H11N3O2S — CID 717781

IUPAC4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide
SMILESN#Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H11N3O2S/c15-9-11-1-3-12(4-2-11)10-17-13-5-7-14(8-6-13)20(16,18)19/h1-8,10H,(H2,16,18,19)/b17-10+
InChIKeyJOAWKSHTFJRTLH-LICLKQGHSA-N
MW285.33 g/mol
LogP1.96
Rot. Bonds3

About 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide

4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide (PubChem CID 717781) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide
PubChem CID717781
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide
SMILESN#Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H11N3O2S/c15-9-11-1-3-12(4-2-11)10-17-13-5-7-14(8-6-13)20(16,18)19/h1-8,10H,(H2,16,18,19)/b17-10+
InChIKeyJOAWKSHTFJRTLH-LICLKQGHSA-N
XLogP1.96
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide (CID 717781) is 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide is N#Cc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is JOAWKSHTFJRTLH-LICLKQGHSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-9-11-1-3-12(4-2-11)10-17-13-5-7-14(8-6-13)20(16,18)19/h1-8,10H,(H2,16,18,19)/b17-10+.
What are the key properties of 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide?
4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 285.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 717781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).