4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C9H7BrCl2F3NO2S — CID 63227828

IUPAC4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H7BrCl2F3NO2S/c10-5-3-6(11)8(7(12)4-5)19(17,18)16-2-1-9(13,14)15/h3-4,16H,1-2H2
InChIKeyOFKAXUUBLJFBNI-UHFFFAOYSA-N
MW401.03 g/mol
LogP3.99
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 63227828) has the molecular formula C9H7BrCl2F3NO2S and a molecular weight of 401.03 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID63227828
Molecular FormulaC9H7BrCl2F3NO2S
Molecular Weight401.03 g/mol
Exact Mass398.87
IUPAC Name4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H7BrCl2F3NO2S/c10-5-3-6(11)8(7(12)4-5)19(17,18)16-2-1-9(13,14)15/h3-4,16H,1-2H2
InChIKeyOFKAXUUBLJFBNI-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.03
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 63227828) is 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide is O=S(=O)(NCCC(F)(F)F)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is OFKAXUUBLJFBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2F3NO2S/c10-5-3-6(11)8(7(12)4-5)19(17,18)16-2-1-9(13,14)15/h3-4,16H,1-2H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 401.03 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 63227828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).