N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide

C12H15F3N2O3S — CID 104982614

IUPACN-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-5-1-2-6-11(10)21(18,19)17-9-4-3-7-16-8-9/h1-2,5-6,9,16-17H,3-4,7-8H2/t9-/m0/s1
InChIKeyJDWONWOCMVMWPA-VIFPVBQESA-N
MW324.32 g/mol
LogP1.62
Rot. Bonds4

About N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide

N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 104982614) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID104982614
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-5-1-2-6-11(10)21(18,19)17-9-4-3-7-16-8-9/h1-2,5-6,9,16-17H,3-4,7-8H2/t9-/m0/s1
InChIKeyJDWONWOCMVMWPA-VIFPVBQESA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 119970410
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119964550
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
N-piperidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 120707123
N-(2-aminocyclopentyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63252615
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
3-bromo-2-fluoro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707137
2-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723641
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide (CID 104982614) is N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(N[C@H]1CCCNC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is JDWONWOCMVMWPA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-5-1-2-6-11(10)21(18,19)17-9-4-3-7-16-8-9/h1-2,5-6,9,16-17H,3-4,7-8H2/t9-/m0/s1.
What are the key properties of N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 104982614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).