N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide

C18H19N3O3S — CID 9231636

IUPACN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc(OCC#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-4-5-14(2)18(12-13)25(22,23)21-20-15(3)16-6-8-17(9-7-16)24-11-10-19/h4-9,12,21H,11H2,1-3H3/b20-15-
InChIKeyYHVCDNULPGYQJN-HKWRFOASSA-N
MW357.44 g/mol
LogP2.91
Rot. Bonds6

About N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 9231636) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID9231636
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc(OCC#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-4-5-14(2)18(12-13)25(22,23)21-20-15(3)16-6-8-17(9-7-16)24-11-10-19/h4-9,12,21H,11H2,1-3H3/b20-15-
InChIKeyYHVCDNULPGYQJN-HKWRFOASSA-N
XLogP2.91
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.91
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-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 3263772
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide
CID 9175311
2,5-dimethyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]benzenesulfonamide
CID 3288647
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 7965468
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6219518
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9217433
2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
CID 136908398
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
CID 9016760
2,5-dimethyl-N-[(Z)-5-methylhexan-2-ylideneamino]benzenesulfonamide
CID 9217508
2-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylbenzenesulfonamide
CID 32675605
N-[(Z)-[4-chloro-1-(4-fluorophenyl)butylidene]amino]-2,5-dimethylbenzenesulfonamide
CID 19629622
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide (CID 9231636) is N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc(OCC#N)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is YHVCDNULPGYQJN-HKWRFOASSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-4-5-14(2)18(12-13)25(22,23)21-20-15(3)16-6-8-17(9-7-16)24-11-10-19/h4-9,12,21H,11H2,1-3H3/b20-15-.
What are the key properties of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 9231636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).