2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride

C9H9ClF3NO4S2 — CID 81358830

IUPAC2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO4S2/c10-19(15,16)5-4-14-20(17,18)8-3-1-2-7(6-8)9(11,12)13/h1-3,6,14H,4-5H2
InChIKeyGKHMFENSZBNUBI-UHFFFAOYSA-N
MW351.76 g/mol
LogP1.55
Rot. Bonds5

About 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride

2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride (PubChem CID 81358830) has the molecular formula C9H9ClF3NO4S2 and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
PubChem CID81358830
Molecular FormulaC9H9ClF3NO4S2
Molecular Weight351.76 g/mol
Exact Mass350.96
IUPAC Name2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9ClF3NO4S2/c10-19(15,16)5-4-14-20(17,18)8-3-1-2-7(6-8)9(11,12)13/h1-3,6,14H,4-5H2
InChIKeyGKHMFENSZBNUBI-UHFFFAOYSA-N
XLogP1.55
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
N-(3-bromobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 113271804
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30867149
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-(4-azidobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 106387073
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride (CID 81358830) is 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride is O=S(=O)(Cl)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride?
The InChIKey is GKHMFENSZBNUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO4S2/c10-19(15,16)5-4-14-20(17,18)8-3-1-2-7(6-8)9(11,12)13/h1-3,6,14H,4-5H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride?
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride has a molecular weight of 351.76 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride is sourced from PubChem (CID 81358830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).