4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide

C11H11BrF3NO2S — CID 165368850

IUPAC4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO2S/c12-10-5-4-8(6-9(10)11(13,14)15)19(17,18)16-7-2-1-3-7/h4-7,16H,1-3H2
InChIKeyKDGJTYRJVMIZLP-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.30
Rot. Bonds3

About 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide

4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 165368850) has the molecular formula C11H11BrF3NO2S and a molecular weight of 358.18 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID165368850
Molecular FormulaC11H11BrF3NO2S
Molecular Weight358.18 g/mol
Exact Mass356.96
IUPAC Name4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO2S/c12-10-5-4-8(6-9(10)11(13,14)15)19(17,18)16-7-2-1-3-7/h4-7,16H,1-3H2
InChIKeyKDGJTYRJVMIZLP-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
4-bromo-N-cyclooctyl-3-fluorobenzenesulfonamide
CID 107649910
4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
CID 68756811
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747
4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 165368885
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000566
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 165368859
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide (CID 165368850) is 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCC1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KDGJTYRJVMIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2S/c12-10-5-4-8(6-9(10)11(13,14)15)19(17,18)16-7-2-1-3-7/h4-7,16H,1-3H2.
What are the key properties of 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 358.18 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 165368850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).