4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide

C9H11BrFNO2S — CID 88616743

IUPAC4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCCF)c1ccc(CBr)cc1
InChIInChI=1S/C9H11BrFNO2S/c10-7-8-1-3-9(4-2-8)15(13,14)12-6-5-11/h1-4,12H,5-7H2
InChIKeyJAHOSRAJPOIANY-UHFFFAOYSA-N
MW296.16 g/mol
LogP1.83
Rot. Bonds5

About 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide

4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide (PubChem CID 88616743) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide
PubChem CID88616743
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC Name4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCCF)c1ccc(CBr)cc1
InChIInChI=1S/C9H11BrFNO2S/c10-7-8-1-3-9(4-2-8)15(13,14)12-6-5-11/h1-4,12H,5-7H2
InChIKeyJAHOSRAJPOIANY-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 51.83
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

2-[[4-(bromomethyl)phenyl]sulfonylamino]ethylurea
CID 83115023
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 65480400
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
4-(bromomethyl)-N-(4-hydroxypentyl)benzenesulfonamide
CID 106137487
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
4-(bromomethyl)-N-(2-butoxyethyl)benzenesulfonamide
CID 65480429
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide (CID 88616743) is 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide is O=S(=O)(NCCF)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide?
The InChIKey is JAHOSRAJPOIANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c10-7-8-1-3-9(4-2-8)15(13,14)12-6-5-11/h1-4,12H,5-7H2.
What are the key properties of 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide?
4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide has a molecular weight of 296.16 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide is sourced from PubChem (CID 88616743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).