4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

C16H15F5N4O3S2 — CID 122484410

IUPAC4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCC(CS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2F)CC1
InChIInChI=1S/C16H15F5N4O3S2/c17-13-10(16(19,20)21)1-2-11(14(13)18)30(27,28)8-9-3-5-25(6-4-9)15(26)23-12-7-22-24-29-12/h1-2,7,9H,3-6,8H2,(H,23,26)
InChIKeyGNUKTMWOTKOJAM-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.55
Rot. Bonds4

About 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 122484410) has the molecular formula C16H15F5N4O3S2 and a molecular weight of 470.45 g/mol. Its IUPAC name is 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID122484410
Molecular FormulaC16H15F5N4O3S2
Molecular Weight470.45 g/mol
Exact Mass470.05
IUPAC Name4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCC(CS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2F)CC1
InChIInChI=1S/C16H15F5N4O3S2/c17-13-10(16(19,20)21)1-2-11(14(13)18)30(27,28)8-9-3-5-25(6-4-9)15(26)23-12-7-22-24-29-12/h1-2,7,9H,3-6,8H2,(H,23,26)
InChIKeyGNUKTMWOTKOJAM-UHFFFAOYSA-N
XLogP3.55
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (CID 122484410) is 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1cnns1)N1CCC(CS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2F)CC1.
What is the InChIKey of 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is GNUKTMWOTKOJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N4O3S2/c17-13-10(16(19,20)21)1-2-11(14(13)18)30(27,28)8-9-3-5-25(6-4-9)15(26)23-12-7-22-24-29-12/h1-2,7,9H,3-6,8H2,(H,23,26).
What are the key properties of 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-difluoro-4-(trifluoromethyl)phenyl]sulfonylmethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122484410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).