N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide

C16H18N2O2S — CID 881745

IUPACN-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(C=NNS(=O)(=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C16H18N2O2S/c1-12-9-10-15(14(3)13(12)2)11-17-18-21(19,20)16-7-5-4-6-8-16/h4-11,18H,1-3H3
InChIKeyBYGKGJIZFXROTA-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.92
Rot. Bonds4

About N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide

N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 881745) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide
PubChem CID881745
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(C=NNS(=O)(=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C16H18N2O2S/c1-12-9-10-15(14(3)13(12)2)11-17-18-21(19,20)16-7-5-4-6-8-16/h4-11,18H,1-3H3
InChIKeyBYGKGJIZFXROTA-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
2-[(E)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
CID 6908575
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 139074353
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 23476860

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide (CID 881745) is N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(C=NNS(=O)(=O)c2ccccc2)c(C)c1C.
What is the InChIKey of N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is BYGKGJIZFXROTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-9-10-15(14(3)13(12)2)11-17-18-21(19,20)16-7-5-4-6-8-16/h4-11,18H,1-3H3.
What are the key properties of N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide?
N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trimethylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 881745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).