4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide

C25H26ClN3O3S — CID 141171867

IUPAC4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccccc4Cl)cc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O3S/c1-33(31,32)29-16-14-28(15-17-29)18-19-6-12-22(13-7-19)27-25(30)21-10-8-20(9-11-21)23-4-2-3-5-24(23)26/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyGCIRYIZRKWAFLH-UHFFFAOYSA-N
MW484.02 g/mol
LogP4.34
Rot. Bonds6

About 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide

4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 141171867) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID141171867
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC Name4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccccc4Cl)cc3)cc2)CC1
InChIInChI=1S/C25H26ClN3O3S/c1-33(31,32)29-16-14-28(15-17-29)18-19-6-12-22(13-7-19)27-25(30)21-10-8-20(9-11-21)23-4-2-3-5-24(23)26/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyGCIRYIZRKWAFLH-UHFFFAOYSA-N
XLogP4.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
ethyl 4-[2-chloro-5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]benzoate
CID 67372382
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
CID 43919630
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922033
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194
N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
methyl 4-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43920302
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
butyl 4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate
CID 38101943
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide (CID 141171867) is 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide is CS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccccc4Cl)cc3)cc2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is GCIRYIZRKWAFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-33(31,32)29-16-14-28(15-17-29)18-19-6-12-22(13-7-19)27-25(30)21-10-8-20(9-11-21)23-4-2-3-5-24(23)26/h2-13H,14-18H2,1H3,(H,27,30).
What are the key properties of 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide?
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 484.02 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 141171867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).