N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide

C25H25ClFN3O4S — CID 4068447

IUPACN-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3C)c2)CC1
InChIInChI=1S/C25H25ClFN3O4S/c1-17-20(26)6-5-7-22(17)28-25(31)19-16-18(10-11-21(19)27)35(32,33)30-14-12-29(13-15-30)23-8-3-4-9-24(23)34-2/h3-11,16H,12-15H2,1-2H3,(H,28,31)
InChIKeyRSNAGFMBFJKAFY-UHFFFAOYSA-N
MW518.01 g/mol
LogP4.56
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide

N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide (PubChem CID 4068447) has the molecular formula C25H25ClFN3O4S and a molecular weight of 518.01 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
PubChem CID4068447
Molecular FormulaC25H25ClFN3O4S
Molecular Weight518.01 g/mol
Exact Mass517.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3C)c2)CC1
InChIInChI=1S/C25H25ClFN3O4S/c1-17-20(26)6-5-7-22(17)28-25(31)19-16-18(10-11-21(19)27)35(32,33)30-14-12-29(13-15-30)23-8-3-4-9-24(23)34-2/h3-11,16H,12-15H2,1-2H3,(H,28,31)
InChIKeyRSNAGFMBFJKAFY-UHFFFAOYSA-N
XLogP4.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.01
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide 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-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 3585921
4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 18892691
N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 4104108
N-(2,5-dimethoxyphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 6616855
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17091633
N-(2,4-dichlorophenyl)-2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 6616787
2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 98529963
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3585656
N-(2,6-diethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 4279992
N-(4-bromophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 15998852

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide (CID 4068447) is N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3C)c2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
The InChIKey is RSNAGFMBFJKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O4S/c1-17-20(26)6-5-7-22(17)28-25(31)19-16-18(10-11-21(19)27)35(32,33)30-14-12-29(13-15-30)23-8-3-4-9-24(23)34-2/h3-11,16H,12-15H2,1-2H3,(H,28,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide?
N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide has a molecular weight of 518.01 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 4068447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).