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

C12H15F3N2O2S — CID 63321069

IUPACN-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)9-3-5-11(6-4-9)20(18,19)17-10-2-1-7-16-8-10/h3-6,10,16-17H,1-2,7-8H2
InChIKeyLVCVLYAMUKHHJB-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.74
Rot. Bonds3

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

N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 63321069) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID63321069
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)9-3-5-11(6-4-9)20(18,19)17-10-2-1-7-16-8-10/h3-6,10,16-17H,1-2,7-8H2
InChIKeyLVCVLYAMUKHHJB-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 119964581
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide (CID 63321069) is N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCCNC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LVCVLYAMUKHHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)9-3-5-11(6-4-9)20(18,19)17-10-2-1-7-16-8-10/h3-6,10,16-17H,1-2,7-8H2.
What are the key properties of N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide?
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 308.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 63321069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).