tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate

C15H22FN3O4S — CID 126508345

IUPACtert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O4S/c1-15(2,3)23-14(20)18-7-9-19(10-8-18)24(21,22)17-13-6-4-5-12(16)11-13/h4-6,11,17H,7-10H2,1-3H3
InChIKeyMXZNXXGNDJWTPX-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate

tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate (PubChem CID 126508345) has the molecular formula C15H22FN3O4S and a molecular weight of 359.42 g/mol. Its IUPAC name is tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate
PubChem CID126508345
Molecular FormulaC15H22FN3O4S
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC Nametert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O4S/c1-15(2,3)23-14(20)18-7-9-19(10-8-18)24(21,22)17-13-6-4-5-12(16)11-13/h4-6,11,17H,7-10H2,1-3H3
InChIKeyMXZNXXGNDJWTPX-UHFFFAOYSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(4-carbamoyl-2-fluorophenyl)sulfamoyl]piperazine-1-carboxylate
CID 155684708
tert-butyl 4-[N'-[2-(3-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111089435
tert-butyl 4-(3-methylimidazol-3-ium-1-yl)sulfonylpiperazine-1-carboxylate;tert-butyl 4-[(3-methylphenyl)sulfamoyl]piperazine-1-carboxylate;3-methylaniline;trifluoromethanesulfonate;hydrochloride
CID 161268854
tert-butyl 4-[3-(propylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 36806170
4-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylbenzoic acid
CID 45328397
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl 4-[N'-[(3-fluorophenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111044150
tert-butyl 4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771184
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
tert-butyl 4-[3-(methylamino)benzoyl]piperazine-1-carboxylate
CID 166845071
tert-butyl 4-(3-fluorophenyl)-3-methylpiperazine-1-carboxylate
CID 166723804
tert-butyl 4-[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 46511637

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate (CID 126508345) is tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate?
The InChIKey is MXZNXXGNDJWTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4S/c1-15(2,3)23-14(20)18-7-9-19(10-8-18)24(21,22)17-13-6-4-5-12(16)11-13/h4-6,11,17H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate?
tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-fluorophenyl)sulfamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 126508345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).