4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide

C18H20ClN3O3S — CID 166209572

IUPAC4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-2-5-15(19)12-17(13)26(24,25)22-10-8-21(9-11-22)16-6-3-14(4-7-16)18(20)23/h2-7,12H,8-11H2,1H3,(H2,20,23)
InChIKeyRNCYMBBWYMORPM-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.26
Rot. Bonds4

About 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide

4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide (PubChem CID 166209572) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide
PubChem CID166209572
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-2-5-15(19)12-17(13)26(24,25)22-10-8-21(9-11-22)16-6-3-14(4-7-16)18(20)23/h2-7,12H,8-11H2,1H3,(H2,20,23)
InChIKeyRNCYMBBWYMORPM-UHFFFAOYSA-N
XLogP2.26
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030456
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343590
N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 53132971
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide (CID 166209572) is 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide is Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide?
The InChIKey is RNCYMBBWYMORPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-2-5-15(19)12-17(13)26(24,25)22-10-8-21(9-11-22)16-6-3-14(4-7-16)18(20)23/h2-7,12H,8-11H2,1H3,(H2,20,23).
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide?
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide has a molecular weight of 393.90 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]benzamide is sourced from PubChem (CID 166209572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).