2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide

C15H24N2O2S — CID 9217508

IUPAC2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide
SMILESC/C(CCC(C)C)=N/NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O2S/c1-11(2)6-9-14(5)16-17-20(18,19)15-10-12(3)7-8-13(15)4/h7-8,10-11,17H,6,9H2,1-5H3/b16-14-
InChIKeyBJLAWAJGAIKYSQ-PEZBUJJGSA-N
MW296.44 g/mol
LogP3.39
Rot. Bonds6

About 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide

2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide (PubChem CID 9217508) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide
PubChem CID9217508
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide
SMILESC/C(CCC(C)C)=N/NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O2S/c1-11(2)6-9-14(5)16-17-20(18,19)15-10-12(3)7-8-13(15)4/h7-8,10-11,17H,6,9H2,1-5H3/b16-14-
InChIKeyBJLAWAJGAIKYSQ-PEZBUJJGSA-N
XLogP3.39
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.39
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-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
CID 136908398
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 3263772
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6219518
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 7965468
N-[(Z)-[4-chloro-1-(4-fluorophenyl)butylidene]amino]-2,5-dimethylbenzenesulfonamide
CID 19629622
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
CID 3288647
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide (CID 9217508) is 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide is C/C(CCC(C)C)=N/NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide?
The InChIKey is BJLAWAJGAIKYSQ-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)6-9-14(5)16-17-20(18,19)15-10-12(3)7-8-13(15)4/h7-8,10-11,17H,6,9H2,1-5H3/b16-14-.
What are the key properties of 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide?
2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide is sourced from PubChem (CID 9217508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).