N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C16H15BrF3NO3S — CID 112788277

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15BrF3NO3S/c1-21(10-11-24-13-8-6-12(17)7-9-13)25(22,23)15-5-3-2-4-14(15)16(18,19)20/h2-9H,10-11H2,1H3
InChIKeyQSIKCGNNKJSAHI-UHFFFAOYSA-N
MW438.27 g/mol
LogP4.17
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide

N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 112788277) has the molecular formula C16H15BrF3NO3S and a molecular weight of 438.27 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID112788277
Molecular FormulaC16H15BrF3NO3S
Molecular Weight438.27 g/mol
Exact Mass436.99
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15BrF3NO3S/c1-21(10-11-24-13-8-6-12(17)7-9-13)25(22,23)15-5-3-2-4-14(15)16(18,19)20/h2-9H,10-11H2,1H3
InChIKeyQSIKCGNNKJSAHI-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
tert-butyl 2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetate
CID 90794385
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-(3-bromopropyl)-N,2-dimethyl-3-(trifluoromethyl)benzenesulfonamide
CID 106441691
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 68885330
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene
CID 63458032
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802
N-(3-chloropropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 63396675
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 112788277) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide is CN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QSIKCGNNKJSAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3NO3S/c1-21(10-11-24-13-8-6-12(17)7-9-13)25(22,23)15-5-3-2-4-14(15)16(18,19)20/h2-9H,10-11H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 438.27 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 112788277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).