4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C9H8BrClF3NO2S — CID 63227872

IUPAC4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H8BrClF3NO2S/c10-6-1-2-8(7(11)5-6)18(16,17)15-4-3-9(12,13)14/h1-2,5,15H,3-4H2
InChIKeyACVJXAUTMJPJIP-UHFFFAOYSA-N
MW366.59 g/mol
LogP3.33
Rot. Bonds4

About 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide

4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 63227872) has the molecular formula C9H8BrClF3NO2S and a molecular weight of 366.59 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID63227872
Molecular FormulaC9H8BrClF3NO2S
Molecular Weight366.59 g/mol
Exact Mass364.91
IUPAC Name4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H8BrClF3NO2S/c10-6-1-2-8(7(11)5-6)18(16,17)15-4-3-9(12,13)14/h1-2,5,15H,3-4H2
InChIKeyACVJXAUTMJPJIP-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 63227872) is 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide is O=S(=O)(NCCC(F)(F)F)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is ACVJXAUTMJPJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF3NO2S/c10-6-1-2-8(7(11)5-6)18(16,17)15-4-3-9(12,13)14/h1-2,5,15H,3-4H2.
What are the key properties of 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 366.59 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 63227872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).