N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide

C20H18N2O2S — CID 4640439

IUPACN-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-16(21-22-25(23,24)20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15,22H,1H3
InChIKeyKCPNTOKSCYOCRW-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.06
Rot. Bonds5

About N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide

N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 4640439) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
PubChem CID4640439
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-16(21-22-25(23,24)20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15,22H,1H3
InChIKeyKCPNTOKSCYOCRW-UHFFFAOYSA-N
XLogP4.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.06
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-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
4-chloro-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135948718
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide (CID 4640439) is N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide is CC(=NNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is KCPNTOKSCYOCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-16(21-22-25(23,24)20-10-6-3-7-11-20)17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15,22H,1H3.
What are the key properties of N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide?
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 4640439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).