N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide

C16H17F3N4O2S — CID 55914292

IUPACN-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncccn2)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-6-1-2-7-14(13)26(24,25)22-12-5-3-10-23(11-12)15-20-8-4-9-21-15/h1-2,4,6-9,12,22H,3,5,10-11H2
InChIKeyWCDLOALBOTUWML-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.44
Rot. Bonds4

About N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 55914292) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID55914292
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncccn2)C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-6-1-2-7-14(13)26(24,25)22-12-5-3-10-23(11-12)15-20-8-4-9-21-15/h1-2,4,6-9,12,22H,3,5,10-11H2
InChIKeyWCDLOALBOTUWML-UHFFFAOYSA-N
XLogP2.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-((4-(((1R,2R)-2-(dimethylamino)cyclopentyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-methylbenzenesulfonamide
CID 25920890
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
2-[4-(Benzenesulfonyl)piperazin-1-yl]pyrimidine
CID 4669887
2-(4-(4-(trifluoromethyl)phenylamino)-8,9-dihydro-5H-pyrimido[5,4-d]azepin-7(6H)-yl)pyridine-3-sulfonamide
CID 52942454
N-methyl-3-[[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 67348787
2-(4-((4-Fluorophenyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 846131
2,4-difluoro-N-[2-methyl-5-[2-[4-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-5-yl]ethynyl]-3-pyridinyl]benzenesulfonamide
CID 60142579
9-(Benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3232738
(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234892
2-(4-{[4-(Tert-butyl)phenyl]sulfonyl}piperazino)pyrimidine
CID 3316727
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 29114544
{4-[4-(Piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-(4-trifluoromethyl-phenyl)-amine
CID 44353890

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 55914292) is N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCCN(c2ncccn2)C1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WCDLOALBOTUWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)13-6-1-2-7-14(13)26(24,25)22-12-5-3-10-23(11-12)15-20-8-4-9-21-15/h1-2,4,6-9,12,22H,3,5,10-11H2.
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 386.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55914292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).