4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide

C12H18BrNO3S — CID 65482217

IUPAC4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C12H18BrNO3S/c1-3-14(8-9-17-2)18(15,16)12-6-4-11(10-13)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyKEWSCULFEHBUDC-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.24
Rot. Bonds7

About 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide

4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 65482217) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID65482217
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C12H18BrNO3S/c1-3-14(8-9-17-2)18(15,16)12-6-4-11(10-13)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyKEWSCULFEHBUDC-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285
4-bromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylbenzenesulfonamide
CID 114263617
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
CID 25072280
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-propylamino]acetate
CID 65482015
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62158129

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide (CID 65482217) is 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide is CCN(CCOC)S(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is KEWSCULFEHBUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-3-14(8-9-17-2)18(15,16)12-6-4-11(10-13)5-7-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 65482217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).