2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide

C18H21N3O5S — CID 39324008

IUPAC2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H21N3O5S/c1-25-17-7-6-15(12-16(17)18(19)22)27(23,24)20-13-2-4-14(5-3-13)21-8-10-26-11-9-21/h2-7,12,20H,8-11H2,1H3,(H2,19,22)
InChIKeyHPCPRELAVVBBGQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.43
Rot. Bonds6

About 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide

2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide (PubChem CID 39324008) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
PubChem CID39324008
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H21N3O5S/c1-25-17-7-6-15(12-16(17)18(19)22)27(23,24)20-13-2-4-14(5-3-13)21-8-10-26-11-9-21/h2-7,12,20H,8-11H2,1H3,(H2,19,22)
InChIKeyHPCPRELAVVBBGQ-UHFFFAOYSA-N
XLogP1.43
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
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
2-methoxy-N-methyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 100513018
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
5-[[2-(dimethylamino)pyrimidin-5-yl]sulfamoyl]-2-methoxybenzamide
CID 122298121
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359854
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide (CID 39324008) is 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide?
The InChIKey is HPCPRELAVVBBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-17-7-6-15(12-16(17)18(19)22)27(23,24)20-13-2-4-14(5-3-13)21-8-10-26-11-9-21/h2-7,12,20H,8-11H2,1H3,(H2,19,22).
What are the key properties of 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide?
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 39324008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).