4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide

C16H18N2O2S — CID 724586

IUPAC4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
SMILESCC(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12(2)14-5-3-13(4-6-14)11-18-15-7-9-16(10-8-15)21(17,19)20/h3-12H,1-2H3,(H2,17,19,20)/b18-11+
InChIKeyLCXBMHUNLBPPKY-WOJGMQOQSA-N
MW302.40 g/mol
LogP3.21
Rot. Bonds4

About 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide

4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 724586) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
PubChem CID724586
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
SMILESCC(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12(2)14-5-3-13(4-6-14)11-18-15-7-9-16(10-8-15)21(17,19)20/h3-12H,1-2H3,(H2,17,19,20)/b18-11+
InChIKeyLCXBMHUNLBPPKY-WOJGMQOQSA-N
XLogP3.21
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide (CID 724586) is 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide is CC(C)c1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is LCXBMHUNLBPPKY-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12(2)14-5-3-13(4-6-14)11-18-15-7-9-16(10-8-15)21(17,19)20/h3-12H,1-2H3,(H2,17,19,20)/b18-11+.
What are the key properties of 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide?
4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 724586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).