6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide

C18H28BrN3O4S — CID 3237820

IUPAC6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1
InChIInChI=1S/C18H28BrN3O4S/c19-16-5-7-17(8-6-16)27(24,25)21-9-3-1-2-4-18(23)20-10-11-22-12-14-26-15-13-22/h5-8,21H,1-4,9-15H2,(H,20,23)
InChIKeyLUUPWBNTXGSGFP-UHFFFAOYSA-N
MW462.41 g/mol
LogP1.74
Rot. Bonds11

About 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide

6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide (PubChem CID 3237820) has the molecular formula C18H28BrN3O4S and a molecular weight of 462.41 g/mol. Its IUPAC name is 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound Name6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide
PubChem CID3237820
Molecular FormulaC18H28BrN3O4S
Molecular Weight462.41 g/mol
Exact Mass461.10
IUPAC Name6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1
InChIInChI=1S/C18H28BrN3O4S/c19-16-5-7-17(8-6-16)27(24,25)21-9-3-1-2-4-18(23)20-10-11-22-12-14-26-15-13-22/h5-8,21H,1-4,9-15H2,(H,20,23)
InChIKeyLUUPWBNTXGSGFP-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 51.74
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 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide?
The IUPAC name of 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide (CID 3237820) is 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide.
What is the SMILES notation for 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide?
The canonical SMILES for 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide is O=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1.
What is the InChIKey of 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide?
The InChIKey is LUUPWBNTXGSGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O4S/c19-16-5-7-17(8-6-16)27(24,25)21-9-3-1-2-4-18(23)20-10-11-22-12-14-26-15-13-22/h5-8,21H,1-4,9-15H2,(H,20,23).
What are the key properties of 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide?
6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide has a molecular weight of 462.41 g/mol, XLogP of 1.74, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 3237820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).