2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide

C24H24ClN3O4S — CID 17319627

IUPAC2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C24H24ClN3O4S/c1-32-23-9-5-4-8-22(23)27-14-16-28(17-15-27)33(30,31)19-12-10-18(11-13-19)26-24(29)20-6-2-3-7-21(20)25/h2-13H,14-17H2,1H3,(H,26,29)
InChIKeyQSDZPKLZJUFLHT-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.11
Rot. Bonds6

About 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide

2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide (PubChem CID 17319627) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
PubChem CID17319627
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C24H24ClN3O4S/c1-32-23-9-5-4-8-22(23)27-14-16-28(17-15-27)33(30,31)19-12-10-18(11-13-19)26-24(29)20-6-2-3-7-21(20)25/h2-13H,14-17H2,1H3,(H,26,29)
InChIKeyQSDZPKLZJUFLHT-UHFFFAOYSA-N
XLogP4.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320520
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
CID 17320775
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 41093278
2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320534
3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321608
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321166
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
N-(3-chloro-2-methylphenyl)-2-fluoro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzamide
CID 4068447
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17091633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide (CID 17319627) is 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is QSDZPKLZJUFLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-32-23-9-5-4-8-22(23)27-14-16-28(17-15-27)33(30,31)19-12-10-18(11-13-19)26-24(29)20-6-2-3-7-21(20)25/h2-13H,14-17H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide?
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 485.99 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 17319627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).