N-[2-(bromomethyl)phenyl]methanesulfonamide

C8H10BrNO2S — CID 114296091

IUPACN-[2-(bromomethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CBr
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6H2,1H3
InChIKeyARANRAGSBXPYKM-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.95
Rot. Bonds3

About N-[2-(bromomethyl)phenyl]methanesulfonamide

N-[2-(bromomethyl)phenyl]methanesulfonamide (PubChem CID 114296091) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]methanesulfonamide
PubChem CID114296091
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-[2-(bromomethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CBr
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6H2,1H3
InChIKeyARANRAGSBXPYKM-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
2-(bromomethyl)-N-[2-(bromomethyl)phenyl]aniline
CID 71416566
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
CID 22395840
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
CID 113271455
N-[2-(aminomethyl)phenyl]methanesulfonamide;N-(2-cyanophenyl)methanesulfonamide
CID 69220738
N-[2-(bromomethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 114296143

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]methanesulfonamide (CID 114296091) is N-[2-(bromomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CBr.
What is the InChIKey of N-[2-(bromomethyl)phenyl]methanesulfonamide?
The InChIKey is ARANRAGSBXPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6H2,1H3.
What are the key properties of N-[2-(bromomethyl)phenyl]methanesulfonamide?
N-[2-(bromomethyl)phenyl]methanesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 114296091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).