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

C19H23ClFN3O2S — CID 29344552

IUPAC1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23ClFN3O2S/c20-19-4-2-1-3-16(19)15-27(25,26)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h1-8,22H,9-15H2
InChIKeyPECSXLGBGCCWRP-UHFFFAOYSA-N
MW411.93 g/mol
LogP2.72
Rot. Bonds7

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

1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 29344552) has the molecular formula C19H23ClFN3O2S and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide
PubChem CID29344552
Molecular FormulaC19H23ClFN3O2S
Molecular Weight411.93 g/mol
Exact Mass411.12
IUPAC Name1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23ClFN3O2S/c20-19-4-2-1-3-16(19)15-27(25,26)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h1-8,22H,9-15H2
InChIKeyPECSXLGBGCCWRP-UHFFFAOYSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide (CID 29344552) is 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is PECSXLGBGCCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O2S/c20-19-4-2-1-3-16(19)15-27(25,26)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h1-8,22H,9-15H2.
What are the key properties of 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 411.93 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 29344552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).