N-(bromomethyl)-N-methylbenzenesulfonamide

C8H10BrNO2S — CID 66916911

IUPACN-(bromomethyl)-N-methylbenzenesulfonamide
SMILESCN(CBr)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10BrNO2S/c1-10(7-9)13(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGAYYLWHLOPZUED-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.66
Rot. Bonds3

About N-(bromomethyl)-N-methylbenzenesulfonamide

N-(bromomethyl)-N-methylbenzenesulfonamide (PubChem CID 66916911) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-(bromomethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(bromomethyl)-N-methylbenzenesulfonamide
PubChem CID66916911
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-(bromomethyl)-N-methylbenzenesulfonamide
SMILESCN(CBr)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10BrNO2S/c1-10(7-9)13(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGAYYLWHLOPZUED-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286
N-[(1-iodoazetidin-3-yl)methyl]-N-methylbenzenesulfonamide
CID 139296803
N-[(E)-hept-2-enyl]-N-methylbenzenesulfonamide
CID 6375331
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
CID 70331751
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
CID 90148129
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N,N-dipropylbenzenesulfonamide
CID 4053954
N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 124638191

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(bromomethyl)-N-methylbenzenesulfonamide (CID 66916911) is N-(bromomethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(bromomethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(bromomethyl)-N-methylbenzenesulfonamide is CN(CBr)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(bromomethyl)-N-methylbenzenesulfonamide?
The InChIKey is GAYYLWHLOPZUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-10(7-9)13(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of N-(bromomethyl)-N-methylbenzenesulfonamide?
N-(bromomethyl)-N-methylbenzenesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 66916911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).