N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide

C15H16N2O2S — CID 6024273

IUPACN-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
SMILESC/C(Cc1ccccc1)=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-13(12-14-8-4-2-5-9-14)16-17-20(18,19)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3/b16-13+
InChIKeyWZITUYVFESCCSG-DTQAZKPQSA-N
MW288.37 g/mol
LogP2.58
Rot. Bonds5

About N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide

N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide (PubChem CID 6024273) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
PubChem CID6024273
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
SMILESC/C(Cc1ccccc1)=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-13(12-14-8-4-2-5-9-14)16-17-20(18,19)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3/b16-13+
InChIKeyWZITUYVFESCCSG-DTQAZKPQSA-N
XLogP2.58
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
4-methyl-N-[(E)-4-phenylmethoxybutan-2-ylideneamino]benzenesulfonamide
CID 177447392
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
CID 4279962
N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
CID 5397914
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[(E)-1-cyclopropylethylideneamino]benzenesulfonamide
CID 6012000
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide (CID 6024273) is N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide is C/C(Cc1ccccc1)=N\NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide?
The InChIKey is WZITUYVFESCCSG-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-13(12-14-8-4-2-5-9-14)16-17-20(18,19)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3/b16-13+.
What are the key properties of N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide?
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide is sourced from PubChem (CID 6024273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).