2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide

C10H13BrN2O3S — CID 107903680

IUPAC2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(C)Br)c1
InChIInChI=1S/C10H13BrN2O3S/c1-7(11)10(14)13-8-4-3-5-9(6-8)17(15,16)12-2/h3-7,12H,1-2H3,(H,13,14)
InChIKeyGTIJUOMYNQWJCB-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.32
Rot. Bonds4

About 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide

2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide (PubChem CID 107903680) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
PubChem CID107903680
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(C)Br)c1
InChIInChI=1S/C10H13BrN2O3S/c1-7(11)10(14)13-8-4-3-5-9(6-8)17(15,16)12-2/h3-7,12H,1-2H3,(H,13,14)
InChIKeyGTIJUOMYNQWJCB-UHFFFAOYSA-N
XLogP1.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide 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

(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119293956
2-bromo-N-[3-(2-bromopropanoylcarbamoylamino)phenyl]propanamide
CID 44592892
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853256
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
[(2S)-1-[3-(methylcarbamoylsulfamoyl)anilino]-1-oxopropan-2-yl]azanium
CID 58681172
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide (CID 107903680) is 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1cccc(NC(=O)C(C)Br)c1.
What is the InChIKey of 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is GTIJUOMYNQWJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-7(11)10(14)13-8-4-3-5-9(6-8)17(15,16)12-2/h3-7,12H,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide?
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 321.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 107903680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).