1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide

C11H16BrNO3S — CID 83084527

IUPAC1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCCN(Cc1ccc(OC)cc1)S(=O)(=O)CBr
InChIInChI=1S/C11H16BrNO3S/c1-3-13(17(14,15)9-12)8-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyGCKRKYSVBYEXDG-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.20
Rot. Bonds6

About 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide

1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 83084527) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID83084527
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCCN(Cc1ccc(OC)cc1)S(=O)(=O)CBr
InChIInChI=1S/C11H16BrNO3S/c1-3-13(17(14,15)9-12)8-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyGCKRKYSVBYEXDG-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 63664523
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
3,3,3-trifluoro-N,N-bis[(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 130367394
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 70293509
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide
CID 158198081
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
2-[(4-methoxyphenyl)methyl-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate
CID 86656093
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
(1R,2S)-1-(2,4-dibromophenyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122702342
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 83084527) is 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide is CCN(Cc1ccc(OC)cc1)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is GCKRKYSVBYEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-3-13(17(14,15)9-12)8-10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 83084527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).