N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide

C11H14BrClFNO3S — CID 107612653

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H14BrClFNO3S/c1-7(2)18-3-4-19(16,17)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4H2,1-2H3
InChIKeyXDBBAWRTLBXOME-UHFFFAOYSA-N
MW374.66 g/mol
LogP3.41
Rot. Bonds6

About N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 107612653) has the molecular formula C11H14BrClFNO3S and a molecular weight of 374.66 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID107612653
Molecular FormulaC11H14BrClFNO3S
Molecular Weight374.66 g/mol
Exact Mass372.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H14BrClFNO3S/c1-7(2)18-3-4-19(16,17)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4H2,1-2H3
InChIKeyXDBBAWRTLBXOME-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide (CID 107612653) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is XDBBAWRTLBXOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFNO3S/c1-7(2)18-3-4-19(16,17)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4H2,1-2H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 374.66 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 107612653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).