4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide

C15H17F3N4O2S — CID 133453591

IUPAC4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCC(c3ncc[nH]3)C2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)12-8-11(3-4-13(12)25(19,23)24)22-7-1-2-10(9-22)14-20-5-6-21-14/h3-6,8,10H,1-2,7,9H2,(H,20,21)(H2,19,23,24)
InChIKeyMAMRVUMMLMMKSH-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.46
Rot. Bonds3

About 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133453591) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133453591
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCC(c3ncc[nH]3)C2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)12-8-11(3-4-13(12)25(19,23)24)22-7-1-2-10(9-22)14-20-5-6-21-14/h3-6,8,10H,1-2,7,9H2,(H,20,21)(H2,19,23,24)
InChIKeyMAMRVUMMLMMKSH-UHFFFAOYSA-N
XLogP2.46
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 133453591) is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCCC(c3ncc[nH]3)C2)cc1C(F)(F)F.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MAMRVUMMLMMKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c16-15(17,18)12-8-11(3-4-13(12)25(19,23)24)22-7-1-2-10(9-22)14-20-5-6-21-14/h3-6,8,10H,1-2,7,9H2,(H,20,21)(H2,19,23,24).
What are the key properties of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide?
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 374.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133453591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).