tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate

C17H26FN3O4S — CID 22718347

IUPACtert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O4S/c1-17(2,3)25-16(22)21-10-8-20(9-11-21)12-13-26(23,24)19-15-6-4-14(18)5-7-15/h4-7,19H,8-13H2,1-3H3
InChIKeyXTQVSPVSTVWKQO-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.12
Rot. Bonds5

About tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate (PubChem CID 22718347) has the molecular formula C17H26FN3O4S and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate
PubChem CID22718347
Molecular FormulaC17H26FN3O4S
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Nametert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O4S/c1-17(2,3)25-16(22)21-10-8-20(9-11-21)12-13-26(23,24)19-15-6-4-14(18)5-7-15/h4-7,19H,8-13H2,1-3H3
InChIKeyXTQVSPVSTVWKQO-UHFFFAOYSA-N
XLogP2.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 41470918
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
tert-butyl 4-(2-methylsulfonylethyl)piperazine-1-carboxylate
CID 66649624
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 4-[3-(propylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 36806170
tert-butyl (3R,4R)-4-(4-fluoroanilino)-3-methylpiperidine-1-carboxylate
CID 169123473
tert-butyl 4-[[5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 34197926
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
tert-butyl 4-[3-[[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]amino]-3-oxopropyl]piperazine-1-carboxylate
CID 100617760
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
CID 18374764
tert-butyl 4-[2-[(4-fluorophenyl)sulfonylamino]butanoyl]-1,4-diazepane-1-carboxylate
CID 110497987
tert-butyl 4-[N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111089332

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate (CID 22718347) is tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate?
The InChIKey is XTQVSPVSTVWKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O4S/c1-17(2,3)25-16(22)21-10-8-20(9-11-21)12-13-26(23,24)19-15-6-4-14(18)5-7-15/h4-7,19H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4-fluorophenyl)sulfamoyl]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 22718347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).