5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide

C8H6BrClF3NO3S — CID 43164412

IUPAC5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C8H6BrClF3NO3S/c9-4-1-5(10)7(17-3-8(11,12)13)6(2-4)18(14,15)16/h1-2H,3H2,(H2,14,15,16)
InChIKeyJOUFEPXDFXTCGO-UHFFFAOYSA-N
MW368.56 g/mol
LogP2.69
Rot. Bonds3

About 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide

5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 43164412) has the molecular formula C8H6BrClF3NO3S and a molecular weight of 368.56 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID43164412
Molecular FormulaC8H6BrClF3NO3S
Molecular Weight368.56 g/mol
Exact Mass366.89
IUPAC Name5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C8H6BrClF3NO3S/c9-4-1-5(10)7(17-3-8(11,12)13)6(2-4)18(14,15)16/h1-2H,3H2,(H2,14,15,16)
InChIKeyJOUFEPXDFXTCGO-UHFFFAOYSA-N
XLogP2.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-chloro-2-methoxybenzene-1-sulfonamide
CID 43164411
5-Bromo-3-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43121782
5-Bromo-3-chloro-2-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43121786
5-Bromo-3-chloro-2-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43121788
5-Bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
CID 43121795
5-Bromo-3-chloro-2-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342355
5-Bromo-3-chloro-2-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342358
5-Bromo-3-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonamide
CID 43342367
5-Bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonyl chloride
CID 60922148
5-Bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide
CID 60922947
4-(4-Bromo-2-fluorophenoxy)-3-chlorobenzenesulfonamide
CID 61375602
5-Bromo-3-chloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490287

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 43164412) is 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(Cl)c1OCC(F)(F)F.
What is the InChIKey of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is JOUFEPXDFXTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3NO3S/c9-4-1-5(10)7(17-3-8(11,12)13)6(2-4)18(14,15)16/h1-2H,3H2,(H2,14,15,16).
What are the key properties of 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide?
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 368.56 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 43164412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).