N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide

C21H26FN3O4S — CID 24538543

IUPACN-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
SMILESCCOc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O4S/c1-3-29-19-10-6-5-9-18(19)24-12-14-25(15-13-24)21(26)16(2)23-30(27,28)20-11-7-4-8-17(20)22/h4-11,16,23H,3,12-15H2,1-2H3/t16-/m0/s1
InChIKeyPJUXAUZQSDRHFM-INIZCTEOSA-N
MW435.52 g/mol
LogP2.24
Rot. Bonds7

About N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide

N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 24538543) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID24538543
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC NameN-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
SMILESCCOc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H26FN3O4S/c1-3-29-19-10-6-5-9-18(19)24-12-14-25(15-13-24)21(26)16(2)23-30(27,28)20-11-7-4-8-17(20)22/h4-11,16,23H,3,12-15H2,1-2H3/t16-/m0/s1
InChIKeyPJUXAUZQSDRHFM-INIZCTEOSA-N
XLogP2.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
N-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide
CID 24640818
2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55942363
1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 42696645
2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31151873
N-[(2S)-1-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55942127
2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 31444972
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
4-ethoxy-N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-methylbenzenesulfonamide
CID 43889098
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide (CID 24538543) is N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide is CCOc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is PJUXAUZQSDRHFM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-3-29-19-10-6-5-9-18(19)24-12-14-25(15-13-24)21(26)16(2)23-30(27,28)20-11-7-4-8-17(20)22/h4-11,16,23H,3,12-15H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide?
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 435.52 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 24538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).