N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide

C16H21F3N2O2S — CID 154830019

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1
InChIInChI=1S/C16H21F3N2O2S/c17-16(18,19)13-5-3-12(4-6-13)10-21-9-1-2-14(11-21)20-24(22,23)15-7-8-15/h3-6,14-15,20H,1-2,7-11H2
InChIKeyANWCGLSYDVKCOM-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.75
Rot. Bonds5

About N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide

N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide (PubChem CID 154830019) has the molecular formula C16H21F3N2O2S and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide
PubChem CID154830019
Molecular FormulaC16H21F3N2O2S
Molecular Weight362.42 g/mol
Exact Mass362.13
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1
InChIInChI=1S/C16H21F3N2O2S/c17-16(18,19)13-5-3-12(4-6-13)10-21-9-1-2-14(11-21)20-24(22,23)15-7-8-15/h3-6,14-15,20H,1-2,7-11H2
InChIKeyANWCGLSYDVKCOM-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
3,5-bis(trifluoromethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]azetidin-3-yl]benzenesulfonamide
CID 42625712
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
N-[1-(cyclobutylmethyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800394
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 155800148
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 42358991
N-[1-(2-methylpropyl)piperidin-3-yl]cyclopropanesulfonamide
CID 155800405
1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992190
N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 118521515
N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine
CID 119918358
1-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119888114
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide (CID 154830019) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide?
The InChIKey is ANWCGLSYDVKCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2S/c17-16(18,19)13-5-3-12(4-6-13)10-21-9-1-2-14(11-21)20-24(22,23)15-7-8-15/h3-6,14-15,20H,1-2,7-11H2.
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide has a molecular weight of 362.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 154830019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).