4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide

C18H22N2O4S — CID 110362395

IUPAC4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1C
InChIInChI=1S/C18H22N2O4S/c1-14-12-17(6-7-18(14)23-2)25(21,22)19-15-4-3-5-16(13-15)20-8-10-24-11-9-20/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyCWYZIYJUPMBJDX-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.64
Rot. Bonds5

About 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide

4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 110362395) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID110362395
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1C
InChIInChI=1S/C18H22N2O4S/c1-14-12-17(6-7-18(14)23-2)25(21,22)19-15-4-3-5-16(13-15)20-8-10-24-11-9-20/h3-7,12-13,19H,8-11H2,1-2H3
InChIKeyCWYZIYJUPMBJDX-UHFFFAOYSA-N
XLogP2.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008
4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 90597852
4-methyl-3-[(3-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 51121483

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide (CID 110362395) is 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is CWYZIYJUPMBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-12-17(6-7-18(14)23-2)25(21,22)19-15-4-3-5-16(13-15)20-8-10-24-11-9-20/h3-7,12-13,19H,8-11H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110362395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).