N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide

C15H17N3O2S — CID 78093079

IUPACN-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1N
InChIInChI=1S/C15H17N3O2S/c1-11-7-9-13(10-8-11)21(19,20)18-17-12(2)14-5-3-4-6-15(14)16/h3-10,18H,16H2,1-2H3
InChIKeyWIMBZMJAPHJJCP-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide

N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 78093079) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
PubChem CID78093079
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1N
InChIInChI=1S/C15H17N3O2S/c1-11-7-9-13(10-8-11)21(19,20)18-17-12(2)14-5-3-4-6-15(14)16/h3-10,18H,16H2,1-2H3
InChIKeyWIMBZMJAPHJJCP-UHFFFAOYSA-N
XLogP2.28
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 151981962
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 88570108
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide (CID 78093079) is N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide is CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is WIMBZMJAPHJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-7-9-13(10-8-11)21(19,20)18-17-12(2)14-5-3-4-6-15(14)16/h3-10,18H,16H2,1-2H3.
What are the key properties of N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 303.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 78093079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).