3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide

C24H24FN3O3S — CID 55348385

IUPAC3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1
InChIInChI=1S/C24H24FN3O3S/c1-18-4-2-6-21(16-18)26-32(30,31)23-7-3-5-19(17-23)24(29)28-14-12-27(13-15-28)22-10-8-20(25)9-11-22/h2-11,16-17,26H,12-15H2,1H3
InChIKeyMUYMLLUXUUVSAF-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.90
Rot. Bonds5

About 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide

3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 55348385) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID55348385
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1
InChIInChI=1S/C24H24FN3O3S/c1-18-4-2-6-21(16-18)26-32(30,31)23-7-3-5-19(17-23)24(29)28-14-12-27(13-15-28)22-10-8-20(25)9-11-22/h2-11,16-17,26H,12-15H2,1H3
InChIKeyMUYMLLUXUUVSAF-UHFFFAOYSA-N
XLogP3.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255857
[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 78773750
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 2982299
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-methylphenyl)sulfonylamino]quinoline-4-carboxylic acid;trihydrochloride
CID 146057125
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide (CID 55348385) is 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is MUYMLLUXUUVSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-18-4-2-6-21(16-18)26-32(30,31)23-7-3-5-19(17-23)24(29)28-14-12-27(13-15-28)22-10-8-20(25)9-11-22/h2-11,16-17,26H,12-15H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 453.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 55348385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).