4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide

C20H24FN3O4S — CID 55408277

IUPAC4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O4S/c1-22-29(26,27)17-7-8-19(21)18(13-17)20(25)24-11-9-23(10-12-24)14-15-3-5-16(28-2)6-4-15/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyNXMUGTKKNJWAFY-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.70
Rot. Bonds6

About 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide

4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 55408277) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID55408277
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O4S/c1-22-29(26,27)17-7-8-19(21)18(13-17)20(25)24-11-9-23(10-12-24)14-15-3-5-16(28-2)6-4-15/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyNXMUGTKKNJWAFY-UHFFFAOYSA-N
XLogP1.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide 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

(5-chloro-2-hydroxyphenyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30953364
3-(4-benzylpiperazine-1-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
CID 26535171
4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9181355
(2,5-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115973
(2-fluoro-4-methoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 32966118
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 55929411
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 51292547
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9077186
[2-(4-methoxyanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085306
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide (CID 55408277) is 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(OC)cc3)CC2)c1.
What is the InChIKey of 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is NXMUGTKKNJWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-22-29(26,27)17-7-8-19(21)18(13-17)20(25)24-11-9-23(10-12-24)14-15-3-5-16(28-2)6-4-15/h3-8,13,22H,9-12,14H2,1-2H3.
What are the key properties of 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide?
4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 421.49 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55408277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).