N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide

C25H26FN3O3S — CID 2336116

IUPACN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C25H26FN3O3S/c1-18-11-12-19(2)24(17-18)33(31,32)27-22-9-5-3-7-20(22)25(30)29-15-13-28(14-16-29)23-10-6-4-8-21(23)26/h3-12,17,27H,13-16H2,1-2H3
InChIKeyXSMUYNZMRDZETF-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.21
Rot. Bonds5

About N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide

N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 2336116) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID2336116
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C25H26FN3O3S/c1-18-11-12-19(2)24(17-18)33(31,32)27-22-9-5-3-7-20(22)25(30)29-15-13-28(14-16-29)23-10-6-4-8-21(23)26/h3-12,17,27H,13-16H2,1-2H3
InChIKeyXSMUYNZMRDZETF-UHFFFAOYSA-N
XLogP4.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 26590795
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 24537371
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119484827
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 60533118
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide
CID 100781113
N-(2,5-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902723
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 50766347
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide (CID 2336116) is N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is XSMUYNZMRDZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c1-18-11-12-19(2)24(17-18)33(31,32)27-22-9-5-3-7-20(22)25(30)29-15-13-28(14-16-29)23-10-6-4-8-21(23)26/h3-12,17,27H,13-16H2,1-2H3.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide?
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 467.57 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2336116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).