N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide

C14H18N4O3S — CID 5454922

IUPACN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCCn1cc(/C=N\NS(=O)(=O)c2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C14H18N4O3S/c1-4-18-10-12(11(2)16-18)9-15-17-22(19,20)14-7-5-13(21-3)6-8-14/h5-10,17H,4H2,1-3H3/b15-9-
InChIKeyKUNBSUULPQKRAB-DHDCSXOGSA-N
MW322.39 g/mol
LogP1.53
Rot. Bonds6

About N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide

N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 5454922) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
PubChem CID5454922
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCCn1cc(/C=N\NS(=O)(=O)c2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C14H18N4O3S/c1-4-18-10-12(11(2)16-18)9-15-17-22(19,20)14-7-5-13(21-3)6-8-14/h5-10,17H,4H2,1-3H3/b15-9-
InChIKeyKUNBSUULPQKRAB-DHDCSXOGSA-N
XLogP1.53
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.53
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-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 40655715
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
N-[(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)ethylideneamino]-4-methoxybenzenesulfonamide
CID 40655707
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
4-ethoxy-N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135624789
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958060
N-[(Z)-2-(dimethylamino)ethylideneamino]-4-methoxybenzenesulfonamide
CID 5477861
4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738
4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 9078234
4-methoxy-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 135567679
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide (CID 5454922) is N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide is CCn1cc(/C=N\NS(=O)(=O)c2ccc(OC)cc2)c(C)n1.
What is the InChIKey of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is KUNBSUULPQKRAB-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-4-18-10-12(11(2)16-18)9-15-17-22(19,20)14-7-5-13(21-3)6-8-14/h5-10,17H,4H2,1-3H3/b15-9-.
What are the key properties of N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide?
N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 5454922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).