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

C8H7ClF3NO2S — CID 154576267

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C8H7ClF3NO2S/c9-6-3-1-2-4-7(6)16(14,15)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyWHDQVYRTHGADDE-UHFFFAOYSA-N
MW273.66 g/mol
LogP2.18
Rot. Bonds3

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

2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 154576267) has the molecular formula C8H7ClF3NO2S and a molecular weight of 273.66 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID154576267
Molecular FormulaC8H7ClF3NO2S
Molecular Weight273.66 g/mol
Exact Mass272.98
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C8H7ClF3NO2S/c9-6-3-1-2-4-7(6)16(14,15)13-5-8(10,11)12/h1-4,13H,5H2
InChIKeyWHDQVYRTHGADDE-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858
2-chloro-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 86931251
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978128
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 154576267) is 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is WHDQVYRTHGADDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2S/c9-6-3-1-2-4-7(6)16(14,15)13-5-8(10,11)12/h1-4,13H,5H2.
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 273.66 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 154576267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).