4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C21H27N3O7S2 — CID 3557212

IUPAC4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1
InChIInChI=1S/C21H27N3O7S2/c1-3-23(4-2)32(27,28)17-7-5-16(6-8-17)21(26)22-19-15-18(9-10-20(19)25)33(29,30)24-11-13-31-14-12-24/h5-10,15,25H,3-4,11-14H2,1-2H3,(H,22,26)
InChIKeyHPTJJWKLXMPFHX-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.70
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide

4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3557212) has the molecular formula C21H27N3O7S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3557212
Molecular FormulaC21H27N3O7S2
Molecular Weight497.60 g/mol
Exact Mass497.13
IUPAC Name4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1
InChIInChI=1S/C21H27N3O7S2/c1-3-23(4-2)32(27,28)17-7-5-16(6-8-17)21(26)22-19-15-18(9-10-20(19)25)33(29,30)24-11-13-31-14-12-24/h5-10,15,25H,3-4,11-14H2,1-2H3,(H,22,26)
InChIKeyHPTJJWKLXMPFHX-UHFFFAOYSA-N
XLogP1.70
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 3557212) is 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is HPTJJWKLXMPFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O7S2/c1-3-23(4-2)32(27,28)17-7-5-16(6-8-17)21(26)22-19-15-18(9-10-20(19)25)33(29,30)24-11-13-31-14-12-24/h5-10,15,25H,3-4,11-14H2,1-2H3,(H,22,26).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 497.60 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3557212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).