N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide

C16H18F3N3O2S — CID 163354863

IUPACN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C16H18F3N3O2S/c1-25(23,24)21-12-3-2-8-22(10-12)15-6-7-20-14-9-11(16(17,18)19)4-5-13(14)15/h4-7,9,12,21H,2-3,8,10H2,1H3
InChIKeyJPJCOIPLCPEKJZ-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.77
Rot. Bonds3

About N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide

N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 163354863) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
PubChem CID163354863
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC NameN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C16H18F3N3O2S/c1-25(23,24)21-12-3-2-8-22(10-12)15-6-7-20-14-9-11(16(17,18)19)4-5-13(14)15/h4-7,9,12,21H,2-3,8,10H2,1H3
InChIKeyJPJCOIPLCPEKJZ-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide (CID 163354863) is N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1.
What is the InChIKey of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide?
The InChIKey is JPJCOIPLCPEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-25(23,24)21-12-3-2-8-22(10-12)15-6-7-20-14-9-11(16(17,18)19)4-5-13(14)15/h4-7,9,12,21H,2-3,8,10H2,1H3.
What are the key properties of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide?
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 163354863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).