4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide

C16H18N2O2S — CID 141470988

IUPAC4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C16H18N2O2S/c1-12-8-10-15(11-9-12)21(19,20)18-17-14(3)16-7-5-4-6-13(16)2/h4-11,18H,1-3H3
InChIKeyLQSLYGDSBXHPJW-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide

4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 141470988) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
PubChem CID141470988
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C16H18N2O2S/c1-12-8-10-15(11-9-12)21(19,20)18-17-14(3)16-7-5-4-6-13(16)2/h4-11,18H,1-3H3
InChIKeyLQSLYGDSBXHPJW-UHFFFAOYSA-N
XLogP3.01
TPSA58.53 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 ≤ 53.01
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-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
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
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide (CID 141470988) is 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide is CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccc1C.
What is the InChIKey of 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is LQSLYGDSBXHPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-8-10-15(11-9-12)21(19,20)18-17-14(3)16-7-5-4-6-13(16)2/h4-11,18H,1-3H3.
What are the key properties of 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide?
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 141470988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).