N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide

C16H17F3N4O2S — CID 55906362

IUPACN-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)12-2-4-14(5-3-12)26(24,25)22-13-6-10-23(11-7-13)15-20-8-1-9-21-15/h1-5,8-9,13,22H,6-7,10-11H2
InChIKeySMJYRIJBHGSNIN-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.44
Rot. Bonds4

About N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 55906362) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID55906362
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)12-2-4-14(5-3-12)26(24,25)22-13-6-10-23(11-7-13)15-20-8-1-9-21-15/h1-5,8-9,13,22H,6-7,10-11H2
InChIKeySMJYRIJBHGSNIN-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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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 55906362) is N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SMJYRIJBHGSNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)12-2-4-14(5-3-12)26(24,25)22-13-6-10-23(11-7-13)15-20-8-1-9-21-15/h1-5,8-9,13,22H,6-7,10-11H2.
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(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-4-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55906362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).