4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide

C15H20N4O3S — CID 9078234

IUPAC4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C\c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-5-22-13-6-8-14(9-7-13)23(20,21)18-16-10-15-11(2)17-19(4)12(15)3/h6-10,18H,5H2,1-4H3/b16-10-
InChIKeySXGXYRKRTKLQJA-YBEGLDIGSA-N
MW336.42 g/mol
LogP1.75
Rot. Bonds6

About 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide

4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide (PubChem CID 9078234) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide
PubChem CID9078234
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C\c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-5-22-13-6-8-14(9-7-13)23(20,21)18-16-10-15-11(2)17-19(4)12(15)3/h6-10,18H,5H2,1-4H3/b16-10-
InChIKeySXGXYRKRTKLQJA-YBEGLDIGSA-N
XLogP1.75
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide
CID 9078212
4-ethoxy-N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzenesulfonamide
CID 2643211
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
4-ethoxy-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 110516688
4-ethoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135614386
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 137070426
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide (CID 9078234) is 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C\c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide?
The InChIKey is SXGXYRKRTKLQJA-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-22-13-6-8-14(9-7-13)23(20,21)18-16-10-15-11(2)17-19(4)12(15)3/h6-10,18H,5H2,1-4H3/b16-10-.
What are the key properties of 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 9078234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).