N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide

C20H24FN3O3S — CID 989253

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H24FN3O3S/c1-28(26,27)24(19-9-5-8-18(21)14-19)16-20(25)23-12-10-22(11-13-23)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3
InChIKeyGDPGGQQKJUYLME-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (PubChem CID 989253) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
PubChem CID989253
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H24FN3O3S/c1-28(26,27)24(19-9-5-8-18(21)14-19)16-20(25)23-12-10-22(11-13-23)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3
InChIKeyGDPGGQQKJUYLME-UHFFFAOYSA-N
XLogP1.94
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (CID 989253) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The InChIKey is GDPGGQQKJUYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-28(26,27)24(19-9-5-8-18(21)14-19)16-20(25)23-12-10-22(11-13-23)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 989253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).