4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C16H24N2O6S — CID 9003804

IUPAC4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O6S/c1-22-9-3-6-17-25(20,21)13-4-5-15(23-2)14(12-13)16(19)18-7-10-24-11-8-18/h4-5,12,17H,3,6-11H2,1-2H3
InChIKeyFGGWPIAPTMKHFB-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.48
Rot. Bonds8

About 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 9003804) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID9003804
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O6S/c1-22-9-3-6-17-25(20,21)13-4-5-15(23-2)14(12-13)16(19)18-7-10-24-11-8-18/h4-5,12,17H,3,6-11H2,1-2H3
InChIKeyFGGWPIAPTMKHFB-UHFFFAOYSA-N
XLogP0.48
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 53281021
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 28633946
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99130763
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 40769366
3-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 46088739
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452
2-methoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525950

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 9003804) is 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1.
What is the InChIKey of 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is FGGWPIAPTMKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-22-9-3-6-17-25(20,21)13-4-5-15(23-2)14(12-13)16(19)18-7-10-24-11-8-18/h4-5,12,17H,3,6-11H2,1-2H3.
What are the key properties of 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 0.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 9003804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).