3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C20H26N2O5S — CID 9030518

IUPAC3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1OCC
InChIInChI=1S/C20H26N2O5S/c1-3-26-19-10-9-18(15-20(19)27-4-2)28(23,24)21-16-5-7-17(8-6-16)22-11-13-25-14-12-22/h5-10,15,21H,3-4,11-14H2,1-2H3
InChIKeyXRJWMRXVIXZOJN-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.12
Rot. Bonds8

About 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 9030518) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID9030518
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1OCC
InChIInChI=1S/C20H26N2O5S/c1-3-26-19-10-9-18(15-20(19)27-4-2)28(23,24)21-16-5-7-17(8-6-16)22-11-13-25-14-12-22/h5-10,15,21H,3-4,11-14H2,1-2H3
InChIKeyXRJWMRXVIXZOJN-UHFFFAOYSA-N
XLogP3.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 90595968
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
4-ethoxy-3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16891028
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 9030518) is 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is XRJWMRXVIXZOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-3-26-19-10-9-18(15-20(19)27-4-2)28(23,24)21-16-5-7-17(8-6-16)22-11-13-25-14-12-22/h5-10,15,21H,3-4,11-14H2,1-2H3.
What are the key properties of 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 9030518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).