5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

C25H26FN3O4S — CID 2441786

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C)cc1
InChIInChI=1S/C25H26FN3O4S/c1-18-3-4-19(17-24(18)34(31,32)27-21-7-11-23(33-2)12-8-21)25(30)29-15-13-28(14-16-29)22-9-5-20(26)6-10-22/h3-12,17,27H,13-16H2,1-2H3
InChIKeyCKLXYYQENIMWAC-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.91
Rot. Bonds6

About 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 2441786) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID2441786
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C)cc1
InChIInChI=1S/C25H26FN3O4S/c1-18-3-4-19(17-24(18)34(31,32)27-21-7-11-23(33-2)12-8-21)25(30)29-15-13-28(14-16-29)22-9-5-20(26)6-10-22/h3-12,17,27H,13-16H2,1-2H3
InChIKeyCKLXYYQENIMWAC-UHFFFAOYSA-N
XLogP3.91
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 126415422
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 2982299
N-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956951
N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 55869067
3,4-difluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 3000004
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
2-chloro-N-(2,3-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 5178494
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 4790784
2-(3,4-dimethylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335458
2-fluoro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55919329

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (CID 2441786) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is CKLXYYQENIMWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-18-3-4-19(17-24(18)34(31,32)27-21-7-11-23(33-2)12-8-21)25(30)29-15-13-28(14-16-29)22-9-5-20(26)6-10-22/h3-12,17,27H,13-16H2,1-2H3.
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 483.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 2441786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).