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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-({1-[(4-Bromophenyl)sulfonyl]-3-piperidinyl}carbonyl)morpholine
CID 2967643
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-[3-(4-morpholinyl)propyl]glycinamide
CID 2977526
[4-(4-Bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 6470810
N1-((3-((4-bromophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 18561370
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 44570922
[1-(4-Bromophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 2295145
{1-[(4-Bromophenyl)sulfonyl]-2-pyrrolidinyl}(morpholino)methanone
CID 2768788
N1-((3-((4-bromophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16807539
4-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzenesulfonamide
CID 24979261
4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1210778
1-[(4-bromophenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-3-piperidinecarboxamide
CID 2981753
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-bromobenzenesulfonamide
CID 25163653

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).