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

C19H25FN4O2S — CID 3239247

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O2S/c1-2-27(25,26)22-15-19(16-4-3-9-21-14-16)24-12-10-23(11-13-24)18-7-5-17(20)6-8-18/h3-9,14,19,22H,2,10-13,15H2,1H3
InChIKeyWTIYVMQJWGIYGC-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.02
Rot. Bonds7

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide (PubChem CID 3239247) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide
PubChem CID3239247
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O2S/c1-2-27(25,26)22-15-19(16-4-3-9-21-14-16)24-12-10-23(11-13-24)18-7-5-17(20)6-8-18/h3-9,14,19,22H,2,10-13,15H2,1H3
InChIKeyWTIYVMQJWGIYGC-UHFFFAOYSA-N
XLogP2.02
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide (CID 3239247) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide is CCS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide?
The InChIKey is WTIYVMQJWGIYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-2-27(25,26)22-15-19(16-4-3-9-21-14-16)24-12-10-23(11-13-24)18-7-5-17(20)6-8-18/h3-9,14,19,22H,2,10-13,15H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]ethanesulfonamide is sourced from PubChem (CID 3239247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).