N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide

C24H33F2N5O2S — CID 15729907

IUPACN-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C24H33F2N5O2S/c25-20-8-10-22(11-9-20)34(32,33)29-23(19-5-2-1-3-6-19)7-4-12-30-13-15-31(16-14-30)24-27-17-21(26)18-28-24/h8-11,17-19,23,29H,1-7,12-16H2
InChIKeyZOVSUSGKGBJVBT-UHFFFAOYSA-N
MW493.62 g/mol
LogP3.58
Rot. Bonds9

About N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide

N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide (PubChem CID 15729907) has the molecular formula C24H33F2N5O2S and a molecular weight of 493.62 g/mol. Its IUPAC name is N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide
PubChem CID15729907
Molecular FormulaC24H33F2N5O2S
Molecular Weight493.62 g/mol
Exact Mass493.23
IUPAC NameN-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C24H33F2N5O2S/c25-20-8-10-22(11-9-20)34(32,33)29-23(19-5-2-1-3-6-19)7-4-12-30-13-15-31(16-14-30)24-27-17-21(26)18-28-24/h8-11,17-19,23,29H,1-7,12-16H2
InChIKeyZOVSUSGKGBJVBT-UHFFFAOYSA-N
XLogP3.58
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide (CID 15729907) is N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide is O=S(=O)(NC(CCCN1CCN(c2ncc(F)cn2)CC1)C1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide?
The InChIKey is ZOVSUSGKGBJVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N5O2S/c25-20-8-10-22(11-9-20)34(32,33)29-23(19-5-2-1-3-6-19)7-4-12-30-13-15-31(16-14-30)24-27-17-21(26)18-28-24/h8-11,17-19,23,29H,1-7,12-16H2.
What are the key properties of N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide?
N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide has a molecular weight of 493.62 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 15729907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).