5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide

C18H20ClN3O3S — CID 120776834

IUPAC5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCNCC2c2cccc(Cl)c2)cc1C(N)=O
InChIInChI=1S/C18H20ClN3O3S/c1-12-5-6-15(10-16(12)18(20)23)26(24,25)22-8-7-21-11-17(22)13-3-2-4-14(19)9-13/h2-6,9-10,17,21H,7-8,11H2,1H3,(H2,20,23)
InChIKeyHRJQFYFJPGDZCU-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.08
Rot. Bonds4

About 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide

5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide (PubChem CID 120776834) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
PubChem CID120776834
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCNCC2c2cccc(Cl)c2)cc1C(N)=O
InChIInChI=1S/C18H20ClN3O3S/c1-12-5-6-15(10-16(12)18(20)23)26(24,25)22-8-7-21-11-17(22)13-3-2-4-14(19)9-13/h2-6,9-10,17,21H,7-8,11H2,1H3,(H2,20,23)
InChIKeyHRJQFYFJPGDZCU-UHFFFAOYSA-N
XLogP2.08
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
CID 120763116
5-(2-cyanopiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 79095352
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate;hydrochloride
CID 120777003
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 120776924
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate
CID 120776778
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide?
The IUPAC name of 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide (CID 120776834) is 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide.
What is the SMILES notation for 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide?
The canonical SMILES for 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide is Cc1ccc(S(=O)(=O)N2CCNCC2c2cccc(Cl)c2)cc1C(N)=O.
What is the InChIKey of 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide?
The InChIKey is HRJQFYFJPGDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-12-5-6-15(10-16(12)18(20)23)26(24,25)22-8-7-21-11-17(22)13-3-2-4-14(19)9-13/h2-6,9-10,17,21H,7-8,11H2,1H3,(H2,20,23).
What are the key properties of 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide?
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide has a molecular weight of 393.90 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide is sourced from PubChem (CID 120776834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).