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

C10H13BrN2O3S — CID 107903498

IUPAC2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C(C)Br
InChIInChI=1S/C10H13BrN2O3S/c1-7(11)10(14)13-8-5-3-4-6-9(8)17(15,16)12-2/h3-7,12H,1-2H3,(H,13,14)
InChIKeyAVFVXZKSJSLBDM-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.32
Rot. Bonds4

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

2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide (PubChem CID 107903498) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
PubChem CID107903498
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C(C)Br
InChIInChI=1S/C10H13BrN2O3S/c1-7(11)10(14)13-8-5-3-4-6-9(8)17(15,16)12-2/h3-7,12H,1-2H3,(H,13,14)
InChIKeyAVFVXZKSJSLBDM-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'}

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 61156317
4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 64896402
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
CID 43567944
2-(2-bromopropanoylamino)benzamide
CID 14588064
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119815897
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide (CID 107903498) is 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccccc1NC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is AVFVXZKSJSLBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-7(11)10(14)13-8-5-3-4-6-9(8)17(15,16)12-2/h3-7,12H,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide?
2-bromo-N-[2-(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-[2-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 107903498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).