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

C10H9BrCl2F3NO3S — CID 61216400

IUPAC4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H9BrCl2F3NO3S/c11-6-3-7(12)9(8(13)4-6)21(19,20)17(1-2-18)5-10(14,15)16/h3-4,18H,1-2,5H2
InChIKeyXSXLIWJVYXXOLD-UHFFFAOYSA-N
MW431.06 g/mol
LogP3.30
Rot. Bonds5

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

4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61216400) has the molecular formula C10H9BrCl2F3NO3S and a molecular weight of 431.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61216400
Molecular FormulaC10H9BrCl2F3NO3S
Molecular Weight431.06 g/mol
Exact Mass428.88
IUPAC Name4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H9BrCl2F3NO3S/c11-6-3-7(12)9(8(13)4-6)21(19,20)17(1-2-18)5-10(14,15)16/h3-4,18H,1-2,5H2
InChIKeyXSXLIWJVYXXOLD-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.06
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61216400) is 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is XSXLIWJVYXXOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2F3NO3S/c11-6-3-7(12)9(8(13)4-6)21(19,20)17(1-2-18)5-10(14,15)16/h3-4,18H,1-2,5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 431.06 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61216400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).