4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

C16H15BrF3NO3S — CID 3480168

IUPAC4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C16H15BrF3NO3S/c1-3-21(13-6-4-5-11(2)9-13)25(22,23)15-8-7-12(17)10-14(15)24-16(18,19)20/h4-10H,3H2,1-2H3
InChIKeyJGUGLJNGVXPICO-UHFFFAOYSA-N
MW438.27 g/mol
LogP4.87
Rot. Bonds5

About 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide

4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3480168) has the molecular formula C16H15BrF3NO3S and a molecular weight of 438.27 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID3480168
Molecular FormulaC16H15BrF3NO3S
Molecular Weight438.27 g/mol
Exact Mass436.99
IUPAC Name4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C16H15BrF3NO3S/c1-3-21(13-6-4-5-11(2)9-13)25(22,23)15-8-7-12(17)10-14(15)24-16(18,19)20/h4-10H,3H2,1-2H3
InChIKeyJGUGLJNGVXPICO-UHFFFAOYSA-N
XLogP4.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485815
N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61076203
N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123900424
methyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-methylamino]benzoate
CID 3863596
N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 167747926
N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 68656573
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 3480168) is 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JGUGLJNGVXPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3NO3S/c1-3-21(13-6-4-5-11(2)9-13)25(22,23)15-8-7-12(17)10-14(15)24-16(18,19)20/h4-10H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 438.27 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3480168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).