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

C11H9BrCl2F3NO2S — CID 61384851

IUPAC4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H9BrCl2F3NO2S/c12-6-3-8(13)10(9(14)4-6)21(19,20)18(7-1-2-7)5-11(15,16)17/h3-4,7H,1-2,5H2
InChIKeyUYNKHFZKODJFAE-UHFFFAOYSA-N
MW427.07 g/mol
LogP4.47
Rot. Bonds4

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

4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61384851) has the molecular formula C11H9BrCl2F3NO2S and a molecular weight of 427.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61384851
Molecular FormulaC11H9BrCl2F3NO2S
Molecular Weight427.07 g/mol
Exact Mass424.89
IUPAC Name4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H9BrCl2F3NO2S/c12-6-3-8(13)10(9(14)4-6)21(19,20)18(7-1-2-7)5-11(15,16)17/h3-4,7H,1-2,5H2
InChIKeyUYNKHFZKODJFAE-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.07
LogP ≤ 54.47
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-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61384851) is 4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UYNKHFZKODJFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2F3NO2S/c12-6-3-8(13)10(9(14)4-6)21(19,20)18(7-1-2-7)5-11(15,16)17/h3-4,7H,1-2,5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 427.07 g/mol, XLogP of 4.47, 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-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61384851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).