N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride

C16H23ClF3N3O3S — CID 120601956

IUPACN-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1.Cl
InChIInChI=1S/C16H22F3N3O3S.ClH/c1-10-9-12(7-8-20-10)21-15(23)11(2)22-26(24,25)14-6-4-3-5-13(14)16(17,18)19;/h3-6,10-12,20,22H,7-9H2,1-2H3,(H,21,23);1H
InChIKeyQNVUMIIUVFKYQM-UHFFFAOYSA-N
MW429.89 g/mol
LogP2.05
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride

N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride (PubChem CID 120601956) has the molecular formula C16H23ClF3N3O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride
PubChem CID120601956
Molecular FormulaC16H23ClF3N3O3S
Molecular Weight429.89 g/mol
Exact Mass429.11
IUPAC NameN-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1.Cl
InChIInChI=1S/C16H22F3N3O3S.ClH/c1-10-9-12(7-8-20-10)21-15(23)11(2)22-26(24,25)14-6-4-3-5-13(14)16(17,18)19;/h3-6,10-12,20,22H,7-9H2,1-2H3,(H,21,23);1H
InChIKeyQNVUMIIUVFKYQM-UHFFFAOYSA-N
XLogP2.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
ethyl 4-[[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 31339737
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269
N-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119563131
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55935778
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119651384
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
tert-butyl N-[1-[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]carbamate
CID 55939956
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride (CID 120601956) is N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride is CC1CC(NC(=O)C(C)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride?
The InChIKey is QNVUMIIUVFKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S.ClH/c1-10-9-12(7-8-20-10)21-15(23)11(2)22-26(24,25)14-6-4-3-5-13(14)16(17,18)19;/h3-6,10-12,20,22H,7-9H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride has a molecular weight of 429.89 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride is sourced from PubChem (CID 120601956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).