4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide

C19H24N2O2S — CID 23882965

IUPAC4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=C/c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-5-21(6-2)24(22,23)19-11-9-18(10-12-19)20-14-17-13-15(3)7-8-16(17)4/h7-14H,5-6H2,1-4H3/b20-14+
InChIKeyIWFBMGVUMYGBLX-XSFVSMFZSA-N
MW344.48 g/mol
LogP4.08
Rot. Bonds6

About 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide

4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (PubChem CID 23882965) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
PubChem CID23882965
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/N=C/c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-5-21(6-2)24(22,23)19-11-9-18(10-12-19)20-14-17-13-15(3)7-8-16(17)4/h7-14H,5-6H2,1-4H3/b20-14+
InChIKeyIWFBMGVUMYGBLX-XSFVSMFZSA-N
XLogP4.08
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
CID 5183188
4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide
CID 135822912
N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 135757806
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
4-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]-N,N-diethylbenzenesulfonamide
CID 1021405
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide (CID 23882965) is 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(/N=C/c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
The InChIKey is IWFBMGVUMYGBLX-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-5-21(6-2)24(22,23)19-11-9-18(10-12-19)20-14-17-13-15(3)7-8-16(17)4/h7-14H,5-6H2,1-4H3/b20-14+.
What are the key properties of 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide?
4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methylideneamino]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 23882965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).