2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

C14H14F6N2O3S — CID 166770507

IUPAC2-(methanesulfonamido)-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(C)(=O)=O
InChIInChI=1S/C14H14F6N2O3S/c1-8(5-6-13(15,16)17)21-12(23)10-7-9(14(18,19)20)3-4-11(10)22-26(2,24)25/h3-4,7,22H,1,5-6H2,2H3,(H,21,23)
InChIKeyYJPAICHYSKWPRZ-UHFFFAOYSA-N
MW404.33 g/mol
LogP3.66
Rot. Bonds6

About 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (PubChem CID 166770507) has the molecular formula C14H14F6N2O3S and a molecular weight of 404.33 g/mol. Its IUPAC name is 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
PubChem CID166770507
Molecular FormulaC14H14F6N2O3S
Molecular Weight404.33 g/mol
Exact Mass404.06
IUPAC Name2-(methanesulfonamido)-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(C)(=O)=O
InChIInChI=1S/C14H14F6N2O3S/c1-8(5-6-13(15,16)17)21-12(23)10-7-9(14(18,19)20)3-4-11(10)22-26(2,24)25/h3-4,7,22H,1,5-6H2,2H3,(H,21,23)
InChIKeyYJPAICHYSKWPRZ-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166981791
4-bromo-2-(methanesulfonamido)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166981835
2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770495
N-but-3-enyl-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 166770510
5-methylsulfonyl-2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylamino]-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770435
2-(tert-butylsulfonylamino)-N-(3-cyanobut-3-enyl)-5-(trifluoromethyl)benzamide
CID 166981869
2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770395
2-[2-(methanesulfonamido)ethylamino]-5-(trifluoromethyl)benzenecarbothioamide
CID 43546238
N-(4-cyano-1-bicyclo[2.2.1]heptanyl)-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 150330074
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119775808
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-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The IUPAC name of 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (CID 166770507) is 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The canonical SMILES for 2-(methanesulfonamido)-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(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The InChIKey is YJPAICHYSKWPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O3S/c1-8(5-6-13(15,16)17)21-12(23)10-7-9(14(18,19)20)3-4-11(10)22-26(2,24)25/h3-4,7,22H,1,5-6H2,2H3,(H,21,23).
What are the key properties of 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide has a molecular weight of 404.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is sourced from PubChem (CID 166770507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).