N-(bromomethyl)-4-methylbenzenesulfonamide

C8H10BrNO2S — CID 20609777

IUPACN-(bromomethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCBr)cc1
InChIInChI=1S/C8H10BrNO2S/c1-7-2-4-8(5-3-7)13(11,12)10-6-9/h2-5,10H,6H2,1H3
InChIKeyCNOBRIPYWBZEIL-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.63
Rot. Bonds3

About N-(bromomethyl)-4-methylbenzenesulfonamide

N-(bromomethyl)-4-methylbenzenesulfonamide (PubChem CID 20609777) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-(bromomethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(bromomethyl)-4-methylbenzenesulfonamide
PubChem CID20609777
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-(bromomethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCBr)cc1
InChIInChI=1S/C8H10BrNO2S/c1-7-2-4-8(5-3-7)13(11,12)10-6-9/h2-5,10H,6H2,1H3
InChIKeyCNOBRIPYWBZEIL-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
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-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209
trimethyl-[[(4-methylphenyl)sulfonylamino]methyl]azanium bromide
CID 123816444
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-[2-[2-aminoethyl-[2-[bis[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide
CID 88938847

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(bromomethyl)-4-methylbenzenesulfonamide (CID 20609777) is N-(bromomethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(bromomethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(bromomethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCBr)cc1.
What is the InChIKey of N-(bromomethyl)-4-methylbenzenesulfonamide?
The InChIKey is CNOBRIPYWBZEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-7-2-4-8(5-3-7)13(11,12)10-6-9/h2-5,10H,6H2,1H3.
What are the key properties of N-(bromomethyl)-4-methylbenzenesulfonamide?
N-(bromomethyl)-4-methylbenzenesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 20609777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).