4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

C22H27ClFN3O2S — CID 23604963

IUPAC4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClFN3O2S/c23-17-5-11-20(12-6-17)30(28,29)25-21-3-1-2-4-22(21)27-15-13-26(14-16-27)19-9-7-18(24)8-10-19/h5-12,21-22,25H,1-4,13-16H2
InChIKeyQQYNBGDRAKCUCB-UHFFFAOYSA-N
MW452.00 g/mol
LogP3.89
Rot. Bonds5

About 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 23604963) has the molecular formula C22H27ClFN3O2S and a molecular weight of 452.00 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID23604963
Molecular FormulaC22H27ClFN3O2S
Molecular Weight452.00 g/mol
Exact Mass451.15
IUPAC Name4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClFN3O2S/c23-17-5-11-20(12-6-17)30(28,29)25-21-3-1-2-4-22(21)27-15-13-26(14-16-27)19-9-7-18(24)8-10-19/h5-12,21-22,25H,1-4,13-16H2
InChIKeyQQYNBGDRAKCUCB-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 23604963) is 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is QQYNBGDRAKCUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O2S/c23-17-5-11-20(12-6-17)30(28,29)25-21-3-1-2-4-22(21)27-15-13-26(14-16-27)19-9-7-18(24)8-10-19/h5-12,21-22,25H,1-4,13-16H2.
What are the key properties of 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 452.00 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).