N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide

C27H38FN3O3S — CID 46232621

IUPACN-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccc(F)cc3)CC2)CC2CCCCC2)cc1
InChIInChI=1S/C27H38FN3O3S/c1-34-26-12-14-27(15-13-26)35(32,33)31(22-23-6-3-2-4-7-23)17-5-16-29-18-20-30(21-19-29)25-10-8-24(28)9-11-25/h8-15,23H,2-7,16-22H2,1H3
InChIKeyLJEKTDPOLMVDTE-UHFFFAOYSA-N
MW503.68 g/mol
LogP4.62
Rot. Bonds10

About N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide

N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide (PubChem CID 46232621) has the molecular formula C27H38FN3O3S and a molecular weight of 503.68 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
PubChem CID46232621
Molecular FormulaC27H38FN3O3S
Molecular Weight503.68 g/mol
Exact Mass503.26
IUPAC NameN-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccc(F)cc3)CC2)CC2CCCCC2)cc1
InChIInChI=1S/C27H38FN3O3S/c1-34-26-12-14-27(15-13-26)35(32,33)31(22-23-6-3-2-4-7-23)17-5-16-29-18-20-30(21-19-29)25-10-8-24(28)9-11-25/h8-15,23H,2-7,16-22H2,1H3
InChIKeyLJEKTDPOLMVDTE-UHFFFAOYSA-N
XLogP4.62
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide 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-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide (CID 46232621) is N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccc(F)cc3)CC2)CC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
The InChIKey is LJEKTDPOLMVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FN3O3S/c1-34-26-12-14-27(15-13-26)35(32,33)31(22-23-6-3-2-4-7-23)17-5-16-29-18-20-30(21-19-29)25-10-8-24(28)9-11-25/h8-15,23H,2-7,16-22H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide?
N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide has a molecular weight of 503.68 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 46232621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).