3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C19H23N3O7S2 — CID 4524358

IUPAC3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1
InChIInChI=1S/C19H23N3O7S2/c1-21(2)30(25,26)15-5-3-4-14(12-15)19(24)20-17-13-16(6-7-18(17)23)31(27,28)22-8-10-29-11-9-22/h3-7,12-13,23H,8-11H2,1-2H3,(H,20,24)
InChIKeyADXDOSLJBLEMLF-UHFFFAOYSA-N
MW469.54 g/mol
LogP0.92
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide

3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4524358) has the molecular formula C19H23N3O7S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4524358
Molecular FormulaC19H23N3O7S2
Molecular Weight469.54 g/mol
Exact Mass469.10
IUPAC Name3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1
InChIInChI=1S/C19H23N3O7S2/c1-21(2)30(25,26)15-5-3-4-14(12-15)19(24)20-17-13-16(6-7-18(17)23)31(27,28)22-8-10-29-11-9-22/h3-7,12-13,23H,8-11H2,1-2H3,(H,20,24)
InChIKeyADXDOSLJBLEMLF-UHFFFAOYSA-N
XLogP0.92
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
Ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
CID 4585809
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholinosulfonyl-benzamide
CID 1087710
N-(2-Methoxy-phenyl)-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1428595
N-(2-methoxyphenyl)-4-methyl-3-(piperidine-1-sulfonyl)benzamide
CID 2599466

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 4524358) is 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is ADXDOSLJBLEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S2/c1-21(2)30(25,26)15-5-3-4-14(12-15)19(24)20-17-13-16(6-7-18(17)23)31(27,28)22-8-10-29-11-9-22/h3-7,12-13,23H,8-11H2,1-2H3,(H,20,24).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 469.54 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).