3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide

C12H17BrN2O3S — CID 51104006

IUPAC3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
SMILESCCCS(=O)(=O)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-2-8-19(17,18)15-7-6-14-12(16)10-4-3-5-11(13)9-10/h3-5,9,15H,2,6-8H2,1H3,(H,14,16)
InChIKeyQLLMBUCWRMMZID-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.51
Rot. Bonds7

About 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide

3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide (PubChem CID 51104006) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
PubChem CID51104006
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
SMILESCCCS(=O)(=O)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O3S/c1-2-8-19(17,18)15-7-6-14-12(16)10-4-3-5-11(13)9-10/h3-5,9,15H,2,6-8H2,1H3,(H,14,16)
InChIKeyQLLMBUCWRMMZID-UHFFFAOYSA-N
XLogP1.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide 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

N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
CID 108575021
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
3-bromo-N-dodecylbenzamide
CID 603918
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
3-bromo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537613
3-bromo-N-[2-(4-oxopentanoylamino)ethyl]benzamide
CID 108539699
N-[2-[(3-bromobenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108539666
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-methylbenzamide
CID 108539696
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-bromo-N-methylsulfonylbenzamide
CID 47269279
3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119765648

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide (CID 51104006) is 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide is CCCS(=O)(=O)NCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide?
The InChIKey is QLLMBUCWRMMZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-2-8-19(17,18)15-7-6-14-12(16)10-4-3-5-11(13)9-10/h3-5,9,15H,2,6-8H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide?
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide has a molecular weight of 349.25 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide is sourced from PubChem (CID 51104006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).