4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H11BrCl2F3NO2S — CID 61216962

IUPAC4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H11BrCl2F3NO2S/c1-6(2)18(5-11(15,16)17)21(19,20)10-8(13)3-7(12)4-9(10)14/h3-4,6H,5H2,1-2H3
InChIKeyWOXSDYCTWCSGFE-UHFFFAOYSA-N
MW429.09 g/mol
LogP4.72
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61216962) has the molecular formula C11H11BrCl2F3NO2S and a molecular weight of 429.09 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61216962
Molecular FormulaC11H11BrCl2F3NO2S
Molecular Weight429.09 g/mol
Exact Mass426.90
IUPAC Name4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H11BrCl2F3NO2S/c1-6(2)18(5-11(15,16)17)21(19,20)10-8(13)3-7(12)4-9(10)14/h3-4,6H,5H2,1-2H3
InChIKeyWOXSDYCTWCSGFE-UHFFFAOYSA-N
XLogP4.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.09
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61216962) is 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is WOXSDYCTWCSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2F3NO2S/c1-6(2)18(5-11(15,16)17)21(19,20)10-8(13)3-7(12)4-9(10)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 429.09 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61216962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).