N-[3-(2-bromoacetyl)phenyl]methanesulfonamide

C9H10BrNO3S — CID 11346858

IUPACN-[3-(2-bromoacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)CBr)c1
InChIInChI=1S/C9H10BrNO3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(12)6-10/h2-5,11H,6H2,1H3
InChIKeyCPSLFLKTEZYTER-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.64
Rot. Bonds4

About N-[3-(2-bromoacetyl)phenyl]methanesulfonamide

N-[3-(2-bromoacetyl)phenyl]methanesulfonamide (PubChem CID 11346858) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is N-[3-(2-bromoacetyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-bromoacetyl)phenyl]methanesulfonamide
PubChem CID11346858
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC NameN-[3-(2-bromoacetyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)CBr)c1
InChIInChI=1S/C9H10BrNO3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(12)6-10/h2-5,11H,6H2,1H3
InChIKeyCPSLFLKTEZYTER-UHFFFAOYSA-N
XLogP1.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3'-Aminoacetophenone
CID 7417
Diflumidone
CID 31501
N-(3-acetylphenyl)methanesulfonamide
CID 706824
1-Acetyl-3-(dimethylsulfamoylamino)benzene
CID 1239358
N-(4-acetylphenyl)methanesulfonamide
CID 684083
1-Butanesulfonamide, N-[4-(2-bromoacetyl)phenyl]-
CID 11142206
1-Butanesulfonamide, N-(4-acetylphenyl)-
CID 22774797
1-(3-Aminophenyl)propan-1-one
CID 2780884
N-(3-benzoylphenyl)sulfamide
CID 44380940
N-(2-acetylphenyl)methanesulfonamide
CID 2767200
1-(3-Aminophenyl)butan-1-one
CID 137288
4'-Aminophenacyl bromide
CID 11367874

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoacetyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-bromoacetyl)phenyl]methanesulfonamide (CID 11346858) is N-[3-(2-bromoacetyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-bromoacetyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-bromoacetyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)CBr)c1.
What is the InChIKey of N-[3-(2-bromoacetyl)phenyl]methanesulfonamide?
The InChIKey is CPSLFLKTEZYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-15(13,14)11-8-4-2-3-7(5-8)9(12)6-10/h2-5,11H,6H2,1H3.
What are the key properties of N-[3-(2-bromoacetyl)phenyl]methanesulfonamide?
N-[3-(2-bromoacetyl)phenyl]methanesulfonamide has a molecular weight of 292.15 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoacetyl)phenyl]methanesulfonamide is sourced from PubChem (CID 11346858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).