N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

C17H21F3N2O3S — CID 3485258

IUPACN-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N2O3S/c1-12(23)21-9-7-15(8-10-21)22(14-5-6-14)26(24,25)16-4-2-3-13(11-16)17(18,19)20/h2-4,11,14-15H,5-10H2,1H3
InChIKeyWHKJYROYERTZHO-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.87
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3485258) has the molecular formula C17H21F3N2O3S and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3485258
Molecular FormulaC17H21F3N2O3S
Molecular Weight390.43 g/mol
Exact Mass390.12
IUPAC NameN-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N2O3S/c1-12(23)21-9-7-15(8-10-21)22(14-5-6-14)26(24,25)16-4-2-3-13(11-16)17(18,19)20/h2-4,11,14-15H,5-10H2,1H3
InChIKeyWHKJYROYERTZHO-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide (CID 3485258) is N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide is CC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WHKJYROYERTZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3S/c1-12(23)21-9-7-15(8-10-21)22(14-5-6-14)26(24,25)16-4-2-3-13(11-16)17(18,19)20/h2-4,11,14-15H,5-10H2,1H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 390.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3485258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).