4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C24H27N3O2S — CID 3541583

IUPAC4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C24H27N3O2S/c1-17-14-18(2)24(19(3)15-17)26-30(28,29)23-12-8-21(9-13-23)25-16-20-6-10-22(11-7-20)27(4)5/h6-16,26H,1-5H3/b25-16+
InChIKeyINDSZSIRWWMMON-PCLIKHOPSA-N
MW421.57 g/mol
LogP5.23
Rot. Bonds6

About 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 3541583) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID3541583
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)c(C)c1
InChIInChI=1S/C24H27N3O2S/c1-17-14-18(2)24(19(3)15-17)26-30(28,29)23-12-8-21(9-13-23)25-16-20-6-10-22(11-7-20)27(4)5/h6-16,26H,1-5H3/b25-16+
InChIKeyINDSZSIRWWMMON-PCLIKHOPSA-N
XLogP5.23
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[[4-[[4-(dimethylamino)phenyl]iminomethyl]phenyl]sulfonylamino]phenyl]piperazin-1-yl]methanedithiolate;gold
CID 58131247
4-[(3-iodo-4-methylphenyl)iminomethyl]-N,N-dimethylaniline
CID 1381576
N,N-dimethyl-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]aniline
CID 5161686
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
5-[[4-(dimethylamino)phenyl]methylideneamino]-2-ethenylbenzenesulfonate
CID 4197705
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfonylacetamide
CID 1284363
4-(dimethylamino)benzaldehyde;1,2,3,5-tetramethylbenzene
CID 174445102
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 3541583) is 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)c(C)c1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is INDSZSIRWWMMON-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17-14-18(2)24(19(3)15-17)26-30(28,29)23-12-8-21(9-13-23)25-16-20-6-10-22(11-7-20)27(4)5/h6-16,26H,1-5H3/b25-16+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 421.57 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 3541583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).