N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

C19H20F3N3O4S — CID 71806971

IUPACN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-5-1-2-6-17(16)30(27,28)24-12-14-7-10-25(11-8-14)18(26)15-4-3-9-23-13-15/h1-6,9,13-14,24H,7-8,10-12H2
InChIKeyOXUWFQYFTMQSOE-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.81
Rot. Bonds6

About N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71806971) has the molecular formula C19H20F3N3O4S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID71806971
Molecular FormulaC19H20F3N3O4S
Molecular Weight443.45 g/mol
Exact Mass443.11
IUPAC NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-5-1-2-6-17(16)30(27,28)24-12-14-7-10-25(11-8-14)18(26)15-4-3-9-23-13-15/h1-6,9,13-14,24H,7-8,10-12H2
InChIKeyOXUWFQYFTMQSOE-UHFFFAOYSA-N
XLogP2.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 71806971) is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is O=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OXUWFQYFTMQSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4S/c20-19(21,22)29-16-5-1-2-6-17(16)30(27,28)24-12-14-7-10-25(11-8-14)18(26)15-4-3-9-23-13-15/h1-6,9,13-14,24H,7-8,10-12H2.
What are the key properties of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 443.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71806971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).