N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide

C15H20N4O2S — CID 40655715

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCCn1cc(C=NNS(=O)(=O)c2ccc(C)cc2C)c(C)n1
InChIInChI=1S/C15H20N4O2S/c1-5-19-10-14(13(4)17-19)9-16-18-22(20,21)15-7-6-11(2)8-12(15)3/h6-10,18H,5H2,1-4H3
InChIKeyTZWQLIIXXSRDBE-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.14
Rot. Bonds5

About N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide (PubChem CID 40655715) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide
PubChem CID40655715
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCCn1cc(C=NNS(=O)(=O)c2ccc(C)cc2C)c(C)n1
InChIInChI=1S/C15H20N4O2S/c1-5-19-10-14(13(4)17-19)9-16-18-22(20,21)15-7-6-11(2)8-12(15)3/h6-10,18H,5H2,1-4H3
InChIKeyTZWQLIIXXSRDBE-UHFFFAOYSA-N
XLogP2.14
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 5454922
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517753
2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 110517932
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22208964
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
2,4-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110517867
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324
[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
CID 110517864

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide (CID 40655715) is N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide is CCn1cc(C=NNS(=O)(=O)c2ccc(C)cc2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is TZWQLIIXXSRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-5-19-10-14(13(4)17-19)9-16-18-22(20,21)15-7-6-11(2)8-12(15)3/h6-10,18H,5H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 40655715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).