2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide

C13H19BrN2O3S — CID 112995289

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-2-3-4-9-15-13(17)10-16-20(18,19)12-7-5-11(14)6-8-12/h5-8,16H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyXCNPMVMMQLYGFM-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.03
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide

2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide (PubChem CID 112995289) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
PubChem CID112995289
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O3S/c1-2-3-4-9-15-13(17)10-16-20(18,19)12-7-5-11(14)6-8-12/h5-8,16H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyXCNPMVMMQLYGFM-UHFFFAOYSA-N
XLogP2.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide 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

2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990709
N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide
CID 46501725
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 4781268
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
CID 4146613
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide (CID 112995289) is 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide is CCCCCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide?
The InChIKey is XCNPMVMMQLYGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-2-3-4-9-15-13(17)10-16-20(18,19)12-7-5-11(14)6-8-12/h5-8,16H,2-4,9-10H2,1H3,(H,15,17).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide?
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide has a molecular weight of 363.28 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide is sourced from PubChem (CID 112995289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).