N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide

C19H22N4O6S — CID 3589299

IUPACN-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H22N4O6S/c1-21(2)30(27,28)16-5-3-4-15(13-16)20-19(24)14-6-7-17(18(12-14)23(25)26)22-8-10-29-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyMJMUPNBGPZZRIC-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.93
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide

N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 3589299) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID3589299
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H22N4O6S/c1-21(2)30(27,28)16-5-3-4-15(13-16)20-19(24)14-6-7-17(18(12-14)23(25)26)22-8-10-29-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyMJMUPNBGPZZRIC-UHFFFAOYSA-N
XLogP1.93
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide (CID 3589299) is N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is MJMUPNBGPZZRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c1-21(2)30(27,28)16-5-3-4-15(13-16)20-19(24)14-6-7-17(18(12-14)23(25)26)22-8-10-29-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 434.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 3589299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).