2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

C19H15F7N2O3S — CID 166770495

IUPAC2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15F7N2O3S/c1-11(8-9-18(21,22)23)27-17(29)15-7-2-12(19(24,25)26)10-16(15)28-32(30,31)14-5-3-13(20)4-6-14/h2-7,10,28H,1,8-9H2,(H,27,29)
InChIKeyJOTCAHMRBNDLPI-UHFFFAOYSA-N
MW484.39 g/mol
LogP5.23
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide

2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (PubChem CID 166770495) has the molecular formula C19H15F7N2O3S and a molecular weight of 484.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
PubChem CID166770495
Molecular FormulaC19H15F7N2O3S
Molecular Weight484.39 g/mol
Exact Mass484.07
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
SMILESC=C(CCC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15F7N2O3S/c1-11(8-9-18(21,22)23)27-17(29)15-7-2-12(19(24,25)26)10-16(15)28-32(30,31)14-5-3-13(20)4-6-14/h2-7,10,28H,1,8-9H2,(H,27,29)
InChIKeyJOTCAHMRBNDLPI-UHFFFAOYSA-N
XLogP5.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770395
2-(methanesulfonamido)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770507
5-methylsulfonyl-2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylamino]-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770435
2-(oxetan-3-ylsulfonylamino)-5-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166981791
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
methyl 2-[(4-cyanophenyl)sulfonylamino]-4-(trifluoromethyl)benzoate
CID 151445715
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
2-[(4-methoxyphenyl)sulfonylamino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 153282073
[4-[[5-(trifluoromethyl)-2-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamoyl]phenyl]sulfamoyl]phenyl] methanesulfonate
CID 153282128
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide (CID 166770495) is 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is C=C(CCC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
The InChIKey is JOTCAHMRBNDLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F7N2O3S/c1-11(8-9-18(21,22)23)27-17(29)15-7-2-12(19(24,25)26)10-16(15)28-32(30,31)14-5-3-13(20)4-6-14/h2-7,10,28H,1,8-9H2,(H,27,29).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide has a molecular weight of 484.39 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide is sourced from PubChem (CID 166770495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).