3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide

C20H24BrN3O4S — CID 25163731

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H24BrN3O4S/c21-17-5-7-19(8-6-17)29(26,27)23-18-4-1-3-16(15-18)20(25)22-9-2-10-24-11-13-28-14-12-24/h1,3-8,15,23H,2,9-14H2,(H,22,25)
InChIKeyUNESRDYPDJIDIG-UHFFFAOYSA-N
MW482.40 g/mol
LogP2.70
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 25163731) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID25163731
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C20H24BrN3O4S/c21-17-5-7-19(8-6-17)29(26,27)23-18-4-1-3-16(15-18)20(25)22-9-2-10-24-11-13-28-14-12-24/h1,3-8,15,23H,2,9-14H2,(H,22,25)
InChIKeyUNESRDYPDJIDIG-UHFFFAOYSA-N
XLogP2.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 52.70
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 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 25163731) is 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is UNESRDYPDJIDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c21-17-5-7-19(8-6-17)29(26,27)23-18-4-1-3-16(15-18)20(25)22-9-2-10-24-11-13-28-14-12-24/h1,3-8,15,23H,2,9-14H2,(H,22,25).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 482.40 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 25163731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).