N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

C19H28FN3O3S — CID 1021985

IUPACN-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H28FN3O3S/c1-27(25,26)23(18-5-3-2-4-6-18)15-19(24)22-13-11-21(12-14-22)17-9-7-16(20)8-10-17/h7-10,18H,2-6,11-15H2,1H3
InChIKeyRVKVUACJKKTOGC-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.07
Rot. Bonds5

About N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 1021985) has the molecular formula C19H28FN3O3S and a molecular weight of 397.52 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID1021985
Molecular FormulaC19H28FN3O3S
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC NameN-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C19H28FN3O3S/c1-27(25,26)23(18-5-3-2-4-6-18)15-19(24)22-13-11-21(12-14-22)17-9-7-16(20)8-10-17/h7-10,18H,2-6,11-15H2,1H3
InChIKeyRVKVUACJKKTOGC-UHFFFAOYSA-N
XLogP2.07
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (CID 1021985) is N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is RVKVUACJKKTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3S/c1-27(25,26)23(18-5-3-2-4-6-18)15-19(24)22-13-11-21(12-14-22)17-9-7-16(20)8-10-17/h7-10,18H,2-6,11-15H2,1H3.
What are the key properties of N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 1021985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).