2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide

C27H25N3O2S — CID 5171617

IUPAC2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C27H25N3O2S/c1-21-13-14-22(2)27(19-21)33(31,32)29-28-20-23-15-17-26(18-16-23)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20,29H,1-2H3
InChIKeyADYJMSQHSVDXFQ-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.09
Rot. Bonds7

About 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide

2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 5171617) has the molecular formula C27H25N3O2S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
PubChem CID5171617
Molecular FormulaC27H25N3O2S
Molecular Weight455.58 g/mol
Exact Mass455.17
IUPAC Name2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C27H25N3O2S/c1-21-13-14-22(2)27(19-21)33(31,32)29-28-20-23-15-17-26(18-16-23)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20,29H,1-2H3
InChIKeyADYJMSQHSVDXFQ-UHFFFAOYSA-N
XLogP6.09
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
2,5-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 6892752
5-tert-butyl-2-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515953
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
CID 4028994
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4674116
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135702068

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide (CID 5171617) is 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is ADYJMSQHSVDXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S/c1-21-13-14-22(2)27(19-21)33(31,32)29-28-20-23-15-17-26(18-16-23)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20,29H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide?
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 455.58 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5171617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).