N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

C19H22N4O6S — CID 18276282

IUPACN-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N4O6S/c24-19(20-8-9-22-10-12-29-13-11-22)15-4-6-16(7-5-15)21-30(27,28)18-3-1-2-17(14-18)23(25)26/h1-7,14,21H,8-13H2,(H,20,24)
InChIKeyDBWSVSOHLMZHFR-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.46
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide

N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 18276282) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID18276282
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22N4O6S/c24-19(20-8-9-22-10-12-29-13-11-22)15-4-6-16(7-5-15)21-30(27,28)18-3-1-2-17(14-18)23(25)26/h1-7,14,21H,8-13H2,(H,20,24)
InChIKeyDBWSVSOHLMZHFR-UHFFFAOYSA-N
XLogP1.46
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.46
H-Bond Donors ≤ 52
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-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide (CID 18276282) is N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is O=C(NCCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is DBWSVSOHLMZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c24-19(20-8-9-22-10-12-29-13-11-22)15-4-6-16(7-5-15)21-30(27,28)18-3-1-2-17(14-18)23(25)26/h1-7,14,21H,8-13H2,(H,20,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide?
N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 434.47 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 18276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).