N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide

C14H21N3O4S — CID 25060316

IUPACN-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)
InChIKeyLAOOSMTXTNZTDT-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.21
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide

N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide (PubChem CID 25060316) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide
PubChem CID25060316
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)
InChIKeyLAOOSMTXTNZTDT-UHFFFAOYSA-N
XLogP-0.21
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide (CID 25060316) is N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide?
The InChIKey is LAOOSMTXTNZTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide?
N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide has a molecular weight of 327.41 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 25060316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).