2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C13H16Cl2N2O3S — CID 108561587

IUPAC2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-21(19,20)17-6-4-10(5-7-17)16-13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3,(H,16,18)
InChIKeyBOWLKASCTJPXMC-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.15
Rot. Bonds3

About 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 108561587) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID108561587
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-21(19,20)17-6-4-10(5-7-17)16-13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3,(H,16,18)
InChIKeyBOWLKASCTJPXMC-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 15951685
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55905233
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 108561587) is 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is BOWLKASCTJPXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-21(19,20)17-6-4-10(5-7-17)16-13(18)11-8-9(14)2-3-12(11)15/h2-3,8,10H,4-7H2,1H3,(H,16,18).
What are the key properties of 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 351.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 108561587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).