N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide

C15H19F3N2O2S — CID 2773944

IUPACN-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-3,10,12-13,19H,4-9H2
InChIKeyNQBHDSLGAKITFX-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.61
Rot. Bonds4

About N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide

N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2773944) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2773944
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC NameN-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-3,10,12-13,19H,4-9H2
InChIKeyNQBHDSLGAKITFX-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide (CID 2773944) is N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NQBHDSLGAKITFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-3,10,12-13,19H,4-9H2.
What are the key properties of N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 348.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2773944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).