N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide

C26H25ClFN3O4S — CID 167771210

IUPACN-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C26H25ClFN3O4S/c1-18-4-2-3-5-19(18)17-25(32)30-12-14-31(15-13-30)26(33)20-6-11-23(27)24(16-20)29-36(34,35)22-9-7-21(28)8-10-22/h2-11,16,29H,12-15,17H2,1H3
InChIKeyIPEDOPPCGFZBMW-UHFFFAOYSA-N
MW530.02 g/mol
LogP4.12
Rot. Bonds6

About N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 167771210) has the molecular formula C26H25ClFN3O4S and a molecular weight of 530.02 g/mol. Its IUPAC name is N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
PubChem CID167771210
Molecular FormulaC26H25ClFN3O4S
Molecular Weight530.02 g/mol
Exact Mass529.12
IUPAC NameN-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C26H25ClFN3O4S/c1-18-4-2-3-5-19(18)17-25(32)30-12-14-31(15-13-30)26(33)20-6-11-23(27)24(16-20)29-36(34,35)22-9-7-21(28)8-10-22/h2-11,16,29H,12-15,17H2,1H3
InChIKeyIPEDOPPCGFZBMW-UHFFFAOYSA-N
XLogP4.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.02
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide 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

1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone
CID 110798390
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 55586596
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590
N-[2-chloro-5-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 55456171
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 24546703
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2548852
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110802397
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110818429
N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 30395425

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide (CID 167771210) is N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide is Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1.
What is the InChIKey of N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is IPEDOPPCGFZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O4S/c1-18-4-2-3-5-19(18)17-25(32)30-12-14-31(15-13-30)26(33)20-6-11-23(27)24(16-20)29-36(34,35)22-9-7-21(28)8-10-22/h2-11,16,29H,12-15,17H2,1H3.
What are the key properties of N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 530.02 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 167771210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).