4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide

C20H24N2O3S — CID 119462777

IUPAC4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c23-20(22-14-17-7-4-12-21-13-17)18-8-10-19(11-9-18)26(24,25)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,17,21H,4,7,12-15H2,(H,22,23)
InChIKeyLIHRBSTYERIWON-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.39
Rot. Bonds6

About 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide

4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119462777) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119462777
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c23-20(22-14-17-7-4-12-21-13-17)18-8-10-19(11-9-18)26(24,25)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,17,21H,4,7,12-15H2,(H,22,23)
InChIKeyLIHRBSTYERIWON-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
3-(benzenesulfonylmethyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559372
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119464249
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide (CID 119462777) is 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide is O=C(NCC1CCCNC1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is LIHRBSTYERIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(22-14-17-7-4-12-21-13-17)18-8-10-19(11-9-18)26(24,25)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,17,21H,4,7,12-15H2,(H,22,23).
What are the key properties of 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide?
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119462777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).