4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide

C18H24N2O4S — CID 112981139

IUPAC4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCCCOC)cc2)cc1
InChIInChI=1S/C18H24N2O4S/c1-3-24-17-9-11-18(12-10-17)25(21,22)20-16-7-5-15(6-8-16)19-13-4-14-23-2/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyZZAUJFNAZYXQFT-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.33
Rot. Bonds10

About 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide

4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide (PubChem CID 112981139) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
PubChem CID112981139
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCCCOC)cc2)cc1
InChIInChI=1S/C18H24N2O4S/c1-3-24-17-9-11-18(12-10-17)25(21,22)20-16-7-5-15(6-8-16)19-13-4-14-23-2/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyZZAUJFNAZYXQFT-UHFFFAOYSA-N
XLogP3.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981118
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide (CID 112981139) is 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NCCCOC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
The InChIKey is ZZAUJFNAZYXQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-3-24-17-9-11-18(12-10-17)25(21,22)20-16-7-5-15(6-8-16)19-13-4-14-23-2/h5-12,19-20H,3-4,13-14H2,1-2H3.
What are the key properties of 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide?
4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).