N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C16H18N2O4S — CID 2728329

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H18N2O4S/c1-12-4-7-14(8-5-12)23(19,20)18-17-11-13-6-9-15(21-2)16(10-13)22-3/h4-11,18H,1-3H3
InChIKeyLCPDHSZYRSTOKS-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.32
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 2728329) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID2728329
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C16H18N2O4S/c1-12-4-7-14(8-5-12)23(19,20)18-17-11-13-6-9-15(21-2)16(10-13)22-3/h4-11,18H,1-3H3
InChIKeyLCPDHSZYRSTOKS-UHFFFAOYSA-N
XLogP2.32
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.32
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-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
Veratraldehyde azine
CID 9566466
N'-[(E)-(2-methoxyphenyl)methylidene]benzenesulfonohydrazide
CID 5335248
N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
CID 748770
N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide
CID 703894
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]benzenesulfonohydrazide
CID 5350534
4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
CID 155526811
N'-[(1E)-(2,3,5-trimethoxyphenyl)methylene]benzenesulfonohydrazide
CID 5348459
Methyl {4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenoxy}acetate
CID 5350558
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,5-dimethoxybenzenesulfonohydrazide
CID 6131904
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 2728329) is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is LCPDHSZYRSTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-4-7-14(8-5-12)23(19,20)18-17-11-13-6-9-15(21-2)16(10-13)22-3/h4-11,18H,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2728329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).