4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide

C15H22N2O3S — CID 43523360

IUPAC4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCCN1
InChIInChI=1S/C15H22N2O3S/c1-11(14-5-3-4-10-16-14)17-15(18)12-6-8-13(9-7-12)21(2,19)20/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyYZLJUZRZSHGPCQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.35
Rot. Bonds4

About 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide

4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide (PubChem CID 43523360) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide
PubChem CID43523360
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCCN1
InChIInChI=1S/C15H22N2O3S/c1-11(14-5-3-4-10-16-14)17-15(18)12-6-8-13(9-7-12)21(2,19)20/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyYZLJUZRZSHGPCQ-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-sulfamoylbenzamide
CID 4347
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
Piperidine Derivative 3m
CID 14096766
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-isopropylcarbamothioate
CID 404019
N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
CID 2981526
N-Butyl 4-sulfamylbenzamide
CID 10355056

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide (CID 43523360) is 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide is CC(NC(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCCN1.
What is the InChIKey of 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide?
The InChIKey is YZLJUZRZSHGPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(14-5-3-4-10-16-14)17-15(18)12-6-8-13(9-7-12)21(2,19)20/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide?
4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(1-piperidin-2-ylethyl)benzamide is sourced from PubChem (CID 43523360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).