4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H6BrClF3NO2S — CID 54918011

IUPAC4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H6BrClF3NO2S/c9-5-1-2-7(6(10)3-5)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyMORKCCAAZRXDJL-UHFFFAOYSA-N
MW352.56 g/mol
LogP2.94
Rot. Bonds3

About 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 54918011) has the molecular formula C8H6BrClF3NO2S and a molecular weight of 352.56 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID54918011
Molecular FormulaC8H6BrClF3NO2S
Molecular Weight352.56 g/mol
Exact Mass350.89
IUPAC Name4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H6BrClF3NO2S/c9-5-1-2-7(6(10)3-5)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyMORKCCAAZRXDJL-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 52.94
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-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 54918011) is 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is MORKCCAAZRXDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3NO2S/c9-5-1-2-7(6(10)3-5)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2.
What are the key properties of 4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 352.56 g/mol, XLogP of 2.94, 3 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-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 54918011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).