N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide

C17H20N2O3S — CID 3263772

IUPACN-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(C)=NNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-5-6-13(2)17(11-12)23(20,21)19-18-14(3)15-7-9-16(22-4)10-8-15/h5-11,19H,1-4H3
InChIKeyDPGRRJYSEUQSPM-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.01
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide

N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 3263772) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID3263772
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(C)=NNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-5-6-13(2)17(11-12)23(20,21)19-18-14(3)15-7-9-16(22-4)10-8-15/h5-11,19H,1-4H3
InChIKeyDPGRRJYSEUQSPM-UHFFFAOYSA-N
XLogP3.01
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9231636
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-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
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-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981526
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 921075
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide (CID 3263772) is N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide is COc1ccc(C(C)=NNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is DPGRRJYSEUQSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-5-6-13(2)17(11-12)23(20,21)19-18-14(3)15-7-9-16(22-4)10-8-15/h5-11,19H,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3263772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).