N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide

C16H24N2O3S — CID 143285935

IUPACN-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCC/C(CC(C)(C)CC=O)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-5-14(12-16(3,4)10-11-19)17-18-22(20,21)15-8-6-13(2)7-9-15/h6-9,11,18H,5,10,12H2,1-4H3/b17-14+
InChIKeyASBUDNDXNCCGMK-SAPNQHFASA-N
MW324.45 g/mol
LogP3.04
Rot. Bonds8

About N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide

N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 143285935) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide
PubChem CID143285935
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide
SMILESCC/C(CC(C)(C)CC=O)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-5-14(12-16(3,4)10-11-19)17-18-22(20,21)15-8-6-13(2)7-9-15/h6-9,11,18H,5,10,12H2,1-4H3/b17-14+
InChIKeyASBUDNDXNCCGMK-SAPNQHFASA-N
XLogP3.04
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
CID 165343830
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
N-[(E)-1,1-dichlorobutan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 11278280
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
CID 92527840
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
dimethyl 2-[(4-methylphenyl)sulfonylhydrazinylidene]butanedioate
CID 2798179
4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide
CID 10926847
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
4-ethyl-N'-[(4-methylphenyl)sulfonylamino]hexanimidamide
CID 175236045

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide (CID 143285935) is N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide is CC/C(CC(C)(C)CC=O)=N\NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is ASBUDNDXNCCGMK-SAPNQHFASA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-5-14(12-16(3,4)10-11-19)17-18-22(20,21)15-8-6-13(2)7-9-15/h6-9,11,18H,5,10,12H2,1-4H3/b17-14+.
What are the key properties of N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide?
N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5,5-dimethyl-7-oxoheptan-3-ylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 143285935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).