N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide

C18H23FN4O2S — CID 5156859

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H23FN4O2S/c1-26(24,25)21-14-18(15-5-4-8-20-13-15)23-11-9-22(10-12-23)17-7-3-2-6-16(17)19/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeySCJQJQBMEMSXAK-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.63
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide (PubChem CID 5156859) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
PubChem CID5156859
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H23FN4O2S/c1-26(24,25)21-14-18(15-5-4-8-20-13-15)23-11-9-22(10-12-23)17-7-3-2-6-16(17)19/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeySCJQJQBMEMSXAK-UHFFFAOYSA-N
XLogP1.63
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide (CID 5156859) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide is CS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide?
The InChIKey is SCJQJQBMEMSXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-26(24,25)21-14-18(15-5-4-8-20-13-15)23-11-9-22(10-12-23)17-7-3-2-6-16(17)19/h2-8,13,18,21H,9-12,14H2,1H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 5156859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).