N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide

C12H15F3N2O4S2 — CID 141159564

IUPACN-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
SMILESO=S(=O)=C1C=CC=C(S(=O)(=O)NC2CCNCC2)C1C(F)(F)F
InChIInChI=1S/C12H15F3N2O4S2/c13-12(14,15)11-9(22(18)19)2-1-3-10(11)23(20,21)17-8-4-6-16-7-5-8/h1-3,8,11,16-17H,4-7H2
InChIKeyHJOGYLFFDRVCPZ-UHFFFAOYSA-N
MW372.39 g/mol
LogP0.34
Rot. Bonds3

About N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide

N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide (PubChem CID 141159564) has the molecular formula C12H15F3N2O4S2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
PubChem CID141159564
Molecular FormulaC12H15F3N2O4S2
Molecular Weight372.39 g/mol
Exact Mass372.04
IUPAC NameN-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
SMILESO=S(=O)=C1C=CC=C(S(=O)(=O)NC2CCNCC2)C1C(F)(F)F
InChIInChI=1S/C12H15F3N2O4S2/c13-12(14,15)11-9(22(18)19)2-1-3-10(11)23(20,21)17-8-4-6-16-7-5-8/h1-3,8,11,16-17H,4-7H2
InChIKeyHJOGYLFFDRVCPZ-UHFFFAOYSA-N
XLogP0.34
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-sulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 141159623
N-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide
CID 170070186
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-disulfonamide
CID 164863467

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide (CID 141159564) is N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide is O=S(=O)=C1C=CC=C(S(=O)(=O)NC2CCNCC2)C1C(F)(F)F.
What is the InChIKey of N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is HJOGYLFFDRVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O4S2/c13-12(14,15)11-9(22(18)19)2-1-3-10(11)23(20,21)17-8-4-6-16-7-5-8/h1-3,8,11,16-17H,4-7H2.
What are the key properties of N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide?
N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 372.39 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-sulfonyl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 141159564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).