N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C19H15F7N2O3S — CID 88933020

IUPACN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H15F7N2O3S/c20-13-5-12(19(24,25)26)6-15(8-13)32(30,31)14-3-10(4-14)9-28-17(29)16-7-11(1-2-27-16)18(21,22)23/h1-2,5-8,10,14H,3-4,9H2,(H,28,29)
InChIKeyTXGTWUSBNFUUTA-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.24
Rot. Bonds5

About N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 88933020) has the molecular formula C19H15F7N2O3S and a molecular weight of 484.39 g/mol. Its IUPAC name is N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID88933020
Molecular FormulaC19H15F7N2O3S
Molecular Weight484.39 g/mol
Exact Mass484.07
IUPAC NameN-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H15F7N2O3S/c20-13-5-12(19(24,25)26)6-15(8-13)32(30,31)14-3-10(4-14)9-28-17(29)16-7-11(1-2-27-16)18(21,22)23/h1-2,5-8,10,14H,3-4,9H2,(H,28,29)
InChIKeyTXGTWUSBNFUUTA-UHFFFAOYSA-N
XLogP4.24
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 88933020) is N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCC1CC(S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is TXGTWUSBNFUUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F7N2O3S/c20-13-5-12(19(24,25)26)6-15(8-13)32(30,31)14-3-10(4-14)9-28-17(29)16-7-11(1-2-27-16)18(21,22)23/h1-2,5-8,10,14H,3-4,9H2,(H,28,29).
What are the key properties of N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 88933020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).