(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine

C16H16F3NO2S — CID 2082096

IUPAC(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)14-6-3-9-20(11-14)23(21,22)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2/t14-/m0/s1
InChIKeyPINYFNIRAHLUNW-AWEZNQCLSA-N
MW343.37 g/mol
LogP3.80
Rot. Bonds2

About (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine

(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine (PubChem CID 2082096) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
PubChem CID2082096
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)14-6-3-9-20(11-14)23(21,22)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2/t14-/m0/s1
InChIKeyPINYFNIRAHLUNW-AWEZNQCLSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 41440130
1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 2928083
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 170459185
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47006010
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
3-(4-fluorophenyl)-1-naphthalen-2-ylsulfonylazepane
CID 90608901
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 94861578
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398

Frequently Asked Questions

What is the IUPAC name of (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The IUPAC name of (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine (CID 2082096) is (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine is O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
The InChIKey is PINYFNIRAHLUNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c17-16(18,19)14-6-3-9-20(11-14)23(21,22)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2/t14-/m0/s1.
What are the key properties of (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine?
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine has a molecular weight of 343.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 2082096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).