N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide

C17H20N2O4S — CID 175036817

IUPACN-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCON=CCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-14-4-10-17(11-5-14)24(20,21)19-15-6-8-16(9-7-15)23-13-3-12-18-22-2/h4-12,19H,3,13H2,1-2H3
InChIKeySLFFDFXCGAKGDS-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.20
Rot. Bonds8

About N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide

N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 175036817) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID175036817
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCON=CCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-14-4-10-17(11-5-14)24(20,21)19-15-6-8-16(9-7-15)23-13-3-12-18-22-2/h4-12,19H,3,13H2,1-2H3
InChIKeySLFFDFXCGAKGDS-UHFFFAOYSA-N
XLogP3.20
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
4-butoxy-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297616
N-[4-[(4-butoxyphenyl)methylsulfanyl]phenyl]-4-methylbenzenesulfonamide
CID 141122630
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-[4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]phenyl]-4-methylbenzenesulfonamide
CID 21237396
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide (CID 175036817) is N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide is CON=CCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is SLFFDFXCGAKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-14-4-10-17(11-5-14)24(20,21)19-15-6-8-16(9-7-15)23-13-3-12-18-22-2/h4-12,19H,3,13H2,1-2H3.
What are the key properties of N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide?
N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyiminopropoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175036817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).