2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide

C18H20N2O2S — CID 6908700

IUPAC2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCC(/C=N/NS(=O)(=O)c1cc(C)ccc1C)=C\c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-14-9-10-16(3)18(12-14)23(21,22)20-19-13-15(2)11-17-7-5-4-6-8-17/h4-13,20H,1-3H3/b15-11+,19-13+
InChIKeyHQNUXLZUKJCEHT-MFVIGFRPSA-N
MW328.44 g/mol
LogP3.67
Rot. Bonds5

About 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide

2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide (PubChem CID 6908700) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
PubChem CID6908700
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCC(/C=N/NS(=O)(=O)c1cc(C)ccc1C)=C\c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-14-9-10-16(3)18(12-14)23(21,22)20-19-13-15(2)11-17-7-5-4-6-8-17/h4-13,20H,1-3H3/b15-11+,19-13+
InChIKeyHQNUXLZUKJCEHT-MFVIGFRPSA-N
XLogP3.67
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.67
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

2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 51061578
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 17338009
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
CID 4028994
5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515892
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide (CID 6908700) is 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide is CC(/C=N/NS(=O)(=O)c1cc(C)ccc1C)=C\c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The InChIKey is HQNUXLZUKJCEHT-MFVIGFRPSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-9-10-16(3)18(12-14)23(21,22)20-19-13-15(2)11-17-7-5-4-6-8-17/h4-13,20H,1-3H3/b15-11+,19-13+.
What are the key properties of 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide is sourced from PubChem (CID 6908700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).