3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride

C14H20Cl3N3O3S — CID 71782782

IUPAC3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2)CC1.Cl
InChIInChI=1S/C14H19Cl2N3O3S.ClH/c1-23(21,22)19-6-4-18(5-7-19)3-2-17-14(20)11-8-12(15)10-13(16)9-11;/h8-10H,2-7H2,1H3,(H,17,20);1H
InChIKeyDOTPOWYHHUOUCN-UHFFFAOYSA-N
MW416.76 g/mol
LogP1.72
Rot. Bonds5

About 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride

3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride (PubChem CID 71782782) has the molecular formula C14H20Cl3N3O3S and a molecular weight of 416.76 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride
PubChem CID71782782
Molecular FormulaC14H20Cl3N3O3S
Molecular Weight416.76 g/mol
Exact Mass415.03
IUPAC Name3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2)CC1.Cl
InChIInChI=1S/C14H19Cl2N3O3S.ClH/c1-23(21,22)19-6-4-18(5-7-19)3-2-17-14(20)11-8-12(15)10-13(16)9-11;/h8-10H,2-7H2,1H3,(H,17,20);1H
InChIKeyDOTPOWYHHUOUCN-UHFFFAOYSA-N
XLogP1.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.76
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 110397603
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
CID 43924194
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 47790503
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
1-(4-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 63002754
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
3,5-dichloro-N-propylbenzamide
CID 2767298
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920725
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride (CID 71782782) is 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride is CS(=O)(=O)N1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2)CC1.Cl.
What is the InChIKey of 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride?
The InChIKey is DOTPOWYHHUOUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3S.ClH/c1-23(21,22)19-6-4-18(5-7-19)3-2-17-14(20)11-8-12(15)10-13(16)9-11;/h8-10H,2-7H2,1H3,(H,17,20);1H.
What are the key properties of 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride?
3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride has a molecular weight of 416.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 71782782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).