2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride

C10H9F4NO4S — CID 103213870

IUPAC2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(COCC(F)(F)F)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H9F4NO4S/c11-10(12,13)6-19-5-9(16)15-7-3-1-2-4-8(7)20(14,17)18/h1-4H,5-6H2,(H,15,16)
InChIKeyHMFWQUZCVGYVEB-UHFFFAOYSA-N
MW315.24 g/mol
LogP1.86
Rot. Bonds5

About 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride

2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride (PubChem CID 103213870) has the molecular formula C10H9F4NO4S and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
PubChem CID103213870
Molecular FormulaC10H9F4NO4S
Molecular Weight315.24 g/mol
Exact Mass315.02
IUPAC Name2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(COCC(F)(F)F)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H9F4NO4S/c11-10(12,13)6-19-5-9(16)15-7-3-1-2-4-8(7)20(14,17)18/h1-4H,5-6H2,(H,15,16)
InChIKeyHMFWQUZCVGYVEB-UHFFFAOYSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]phenyl]propanoic acid
CID 107272426
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997603
N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113368783
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103819467
2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride
CID 116814199
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208716
4-bromo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205874
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 49202160
2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide
CID 64537800
3-amino-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205666

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride (CID 103213870) is 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride is O=C(COCC(F)(F)F)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride?
The InChIKey is HMFWQUZCVGYVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4S/c11-10(12,13)6-19-5-9(16)15-7-3-1-2-4-8(7)20(14,17)18/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride?
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride has a molecular weight of 315.24 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride is sourced from PubChem (CID 103213870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).