4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide

C19H22N2O4S — CID 2350134

IUPAC4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-25-17-8-10-18(11-9-17)26(22,23)20-19(16-6-4-3-5-7-16)21-12-14-24-15-13-21/h3-11H,2,12-15H2,1H3
InChIKeyCFNRDIUEXYZQLR-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.55
Rot. Bonds5

About 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide

4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (PubChem CID 2350134) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
PubChem CID2350134
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N=C(c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-25-17-8-10-18(11-9-17)26(22,23)20-19(16-6-4-3-5-7-16)21-12-14-24-15-13-21/h3-11H,2,12-15H2,1H3
InChIKeyCFNRDIUEXYZQLR-UHFFFAOYSA-N
XLogP2.55
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methylidene]-4-ethoxybenzenesulfonamide
CID 2336192
(NZ)-4-fluoro-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 6019249
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740101
N-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]-phenylmethylidene]benzenesulfonamide
CID 7721969
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
N'-(4-ethoxyphenyl)sulfonyl-4-morpholin-4-yl-4-oxobutanehydrazide
CID 9244445
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
(E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one
CID 12027175
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
4-ethoxybenzenesulfonic acid
CID 7013020

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (CID 2350134) is 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N=C(c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The InChIKey is CFNRDIUEXYZQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-25-17-8-10-18(11-9-17)26(22,23)20-19(16-6-4-3-5-7-16)21-12-14-24-15-13-21/h3-11H,2,12-15H2,1H3.
What are the key properties of 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 2350134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).