5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide

C13H18BrNO3S — CID 113248620

IUPAC5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(Br)ccc2OC)CCC1
InChIInChI=1S/C13H18BrNO3S/c1-3-13(7-4-8-13)15-19(16,17)12-9-10(14)5-6-11(12)18-2/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyOKMWRMIMPLUUJG-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.07
Rot. Bonds5

About 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide

5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide (PubChem CID 113248620) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
PubChem CID113248620
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(Br)ccc2OC)CCC1
InChIInChI=1S/C13H18BrNO3S/c1-3-13(7-4-8-13)15-19(16,17)12-9-10(14)5-6-11(12)18-2/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyOKMWRMIMPLUUJG-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide
CID 132971025
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
CID 115902986
N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704737
5-bromo-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896516
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide (CID 113248620) is 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide is CCC1(NS(=O)(=O)c2cc(Br)ccc2OC)CCC1.
What is the InChIKey of 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide?
The InChIKey is OKMWRMIMPLUUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-3-13(7-4-8-13)15-19(16,17)12-9-10(14)5-6-11(12)18-2/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113248620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).