2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

C16H16F6N2O4S — CID 166981791

IUPAC2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)C1COC1
InChIInChI=1S/C16H16F6N2O4S/c1-9(4-5-15(17,18)19)23-14(25)12-6-10(16(20,21)22)2-3-13(12)24-29(26,27)11-7-28-8-11/h2-3,6,11,24H,1,4-5,7-8H2,(H,23,25)
InChIKeyPTMZAAASZRDIOJ-UHFFFAOYSA-N
MW446.37 g/mol
LogP3.43
Rot. Bonds7

About 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (PubChem CID 166981791) has the molecular formula C16H16F6N2O4S and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.

Molecular Properties

Compound Name2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
PubChem CID166981791
Molecular FormulaC16H16F6N2O4S
Molecular Weight446.37 g/mol
Exact Mass446.07
IUPAC Name2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)C1COC1
InChIInChI=1S/C16H16F6N2O4S/c1-9(4-5-15(17,18)19)23-14(25)12-6-10(16(20,21)22)2-3-13(12)24-29(26,27)11-7-28-8-11/h2-3,6,11,24H,1,4-5,7-8H2,(H,23,25)
InChIKeyPTMZAAASZRDIOJ-UHFFFAOYSA-N
XLogP3.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide with MolForge

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Related Compounds

2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770507
2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770495
5-methylsulfonyl-2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylamino]-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770435
2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770395
2-(tert-butylsulfonylamino)-N-(3-cyanobut-3-enyl)-5-(trifluoromethyl)benzamide
CID 166981869
N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 166770510
N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
CID 81198712
N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198
2-[2-(methanesulfonamido)ethylamino]-5-(trifluoromethyl)benzenecarbothioamide
CID 43546238
2-(cyclopropylsulfamoylamino)-5-(trifluoromethyl)benzenecarbothioamide
CID 114808524
2-(methylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114806531
2-(ethylsulfamoylamino)-5-(trifluoromethyl)benzenecarbothioamide
CID 114808520

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The IUPAC name of 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (CID 166981791) is 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.
What is the SMILES notation for 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The canonical SMILES for 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is C=C(CCC(F)(F)F)NC(=O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)C1COC1.
What is the InChIKey of 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The InChIKey is PTMZAAASZRDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N2O4S/c1-9(4-5-15(17,18)19)23-14(25)12-6-10(16(20,21)22)2-3-13(12)24-29(26,27)11-7-28-8-11/h2-3,6,11,24H,1,4-5,7-8H2,(H,23,25).
What are the key properties of 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide has a molecular weight of 446.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is sourced from PubChem (CID 166981791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).