N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H9BrClF4NO2S — CID 104922627

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H9BrClF4NO2S/c11-7-4-6(13)5-8(12)9(7)17-20(18,19)3-1-2-10(14,15)16/h4-5,17H,1-3H2
InChIKeyNUQSEHHOUNQFIF-UHFFFAOYSA-N
MW398.60 g/mol
LogP4.33
Rot. Bonds5

About N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 104922627) has the molecular formula C10H9BrClF4NO2S and a molecular weight of 398.60 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID104922627
Molecular FormulaC10H9BrClF4NO2S
Molecular Weight398.60 g/mol
Exact Mass396.92
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H9BrClF4NO2S/c11-7-4-6(13)5-8(12)9(7)17-20(18,19)3-1-2-10(14,15)16/h4-5,17H,1-3H2
InChIKeyNUQSEHHOUNQFIF-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 104922627) is N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is NUQSEHHOUNQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF4NO2S/c11-7-4-6(13)5-8(12)9(7)17-20(18,19)3-1-2-10(14,15)16/h4-5,17H,1-3H2.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 398.60 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 104922627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).