N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C18H19ClFN3O3S — CID 46770608

IUPACN-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C18H19ClFN3O3S/c1-27(25,26)21-16-7-6-13(12-14(16)19)18(24)23-10-8-22(9-11-23)17-5-3-2-4-15(17)20/h2-7,12,21H,8-11H2,1H3
InChIKeyLEXPQURQGGGEGB-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.81
Rot. Bonds4

About N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 46770608) has the molecular formula C18H19ClFN3O3S and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID46770608
Molecular FormulaC18H19ClFN3O3S
Molecular Weight411.89 g/mol
Exact Mass411.08
IUPAC NameN-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl
InChIInChI=1S/C18H19ClFN3O3S/c1-27(25,26)21-16-7-6-13(12-14(16)19)18(24)23-10-8-22(9-11-23)17-5-3-2-4-15(17)20/h2-7,12,21H,8-11H2,1H3
InChIKeyLEXPQURQGGGEGB-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 99956126
N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 30395425
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 34229440
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide
CID 50946547
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
N-[2-(4-chlorophenyl)sulfanyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 4063446
N-[2-chloro-4-(3,3-dimethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 92680658
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 46770608) is N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is LEXPQURQGGGEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3S/c1-27(25,26)21-16-7-6-13(12-14(16)19)18(24)23-10-8-22(9-11-23)17-5-3-2-4-15(17)20/h2-7,12,21H,8-11H2,1H3.
What are the key properties of N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 411.89 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 46770608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).