N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide

C17H24FN3O3S — CID 6465555

IUPACN-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-14-6-8-16(9-7-14)25(23,24)21-12-10-20(11-13-21)17(22)19-15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,19,22)
InChIKeyINTGNRDXGQKAFD-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.17
Rot. Bonds3

About N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide

N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 6465555) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID6465555
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-14-6-8-16(9-7-14)25(23,24)21-12-10-20(11-13-21)17(22)19-15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,19,22)
InChIKeyINTGNRDXGQKAFD-UHFFFAOYSA-N
XLogP2.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 6465555) is N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is INTGNRDXGQKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c18-14-6-8-16(9-7-14)25(23,24)21-12-10-20(11-13-21)17(22)19-15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2,(H,19,22).
What are the key properties of N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 6465555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).