2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide

C16H18BrNO3S — CID 26544462

IUPAC2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccccc1OCCN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C16H18BrNO3S/c1-13-7-3-5-9-15(13)21-12-11-18(2)22(19,20)16-10-6-4-8-14(16)17/h3-10H,11-12H2,1-2H3
InChIKeyWGWRNNDXTJUBAB-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.46
Rot. Bonds6

About 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide

2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 26544462) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID26544462
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccccc1OCCN(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C16H18BrNO3S/c1-13-7-3-5-9-15(13)21-12-11-18(2)22(19,20)16-10-6-4-8-14(16)17/h3-10H,11-12H2,1-2H3
InChIKeyWGWRNNDXTJUBAB-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544444
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610
3-[(2-bromophenyl)sulfonyl-methylamino]propanoic acid
CID 60990026
2-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 61042544
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
CID 17465115
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260129
1-[2-(2-bromophenoxy)ethyl]-1-methylhydrazine
CID 82294553
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 9218220
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide (CID 26544462) is 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide is Cc1ccccc1OCCN(C)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is WGWRNNDXTJUBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-13-7-3-5-9-15(13)21-12-11-18(2)22(19,20)16-10-6-4-8-14(16)17/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide?
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 26544462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).