N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

C16H22FN5O2S — CID 167800218

IUPACN-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCCn1ncnc1CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN5O2S/c1-2-22-16(18-12-19-22)11-21-9-7-14(8-10-21)20-25(23,24)15-5-3-13(17)4-6-15/h3-6,12,14,20H,2,7-11H2,1H3
InChIKeyYPWBJTBFFZMRCU-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.38
Rot. Bonds6

About N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 167800218) has the molecular formula C16H22FN5O2S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID167800218
Molecular FormulaC16H22FN5O2S
Molecular Weight367.45 g/mol
Exact Mass367.15
IUPAC NameN-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCCn1ncnc1CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN5O2S/c1-2-22-16(18-12-19-22)11-21-9-7-14(8-10-21)20-25(23,24)15-5-3-13(17)4-6-15/h3-6,12,14,20H,2,7-11H2,1H3
InChIKeyYPWBJTBFFZMRCU-UHFFFAOYSA-N
XLogP1.38
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 167800218) is N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is CCn1ncnc1CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is YPWBJTBFFZMRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2S/c1-2-22-16(18-12-19-22)11-21-9-7-14(8-10-21)20-25(23,24)15-5-3-13(17)4-6-15/h3-6,12,14,20H,2,7-11H2,1H3.
What are the key properties of N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 367.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 167800218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).