N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide

C19H24FN3O2S — CID 29344531

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-10-21-26(24,25)16-17-4-2-1-3-5-17/h1-9,21H,10-16H2
InChIKeyJHMYCTLOWFWWIA-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.07
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide (PubChem CID 29344531) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide
PubChem CID29344531
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-10-21-26(24,25)16-17-4-2-1-3-5-17/h1-9,21H,10-16H2
InChIKeyJHMYCTLOWFWWIA-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide (CID 29344531) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide?
The InChIKey is JHMYCTLOWFWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-10-21-26(24,25)16-17-4-2-1-3-5-17/h1-9,21H,10-16H2.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 29344531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).