2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H6Cl2F3NO2S — CID 68886955

IUPAC2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2F3NO2S/c9-5-2-1-3-6(10)7(5)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyTXMFDZMCMXDPFD-UHFFFAOYSA-N
MW308.11 g/mol
LogP2.83
Rot. Bonds3

About 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 68886955) has the molecular formula C8H6Cl2F3NO2S and a molecular weight of 308.11 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID68886955
Molecular FormulaC8H6Cl2F3NO2S
Molecular Weight308.11 g/mol
Exact Mass306.94
IUPAC Name2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2F3NO2S/c9-5-2-1-3-6(10)7(5)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyTXMFDZMCMXDPFD-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 68886955) is 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is TXMFDZMCMXDPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3NO2S/c9-5-2-1-3-6(10)7(5)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2.
What are the key properties of 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 308.11 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 68886955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).