N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide

C12H15F3N2O3S — CID 63320915

IUPACN-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-4-1-5-11(7-10)21(18,19)17-9-3-2-6-16-8-9/h1,4-5,7,9,16-17H,2-3,6,8H2
InChIKeyLKRMXTUKDGUGLN-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.62
Rot. Bonds4

About N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide

N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 63320915) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID63320915
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-4-1-5-11(7-10)21(18,19)17-9-3-2-6-16-8-9/h1,4-5,7,9,16-17H,2-3,6,8H2
InChIKeyLKRMXTUKDGUGLN-UHFFFAOYSA-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

3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 104982614
N-[3-(1,2,4-triazol-4-yl)cyclohexyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 75310646
3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964250
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
CID 119964445
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide (CID 63320915) is N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCCNC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LKRMXTUKDGUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)20-10-4-1-5-11(7-10)21(18,19)17-9-3-2-6-16-8-9/h1,4-5,7,9,16-17H,2-3,6,8H2.
What are the key properties of N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide?
N-piperidin-3-yl-3-(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-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 63320915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).