N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide

C21H26N2O4S — CID 78796030

IUPACN-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccccc1S(=O)(=O)N1CCCCC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H26N2O4S/c24-16-15-22(17-18-9-3-1-4-10-18)21(25)19-11-5-6-12-20(19)28(26,27)23-13-7-2-8-14-23/h1,3-6,9-12,24H,2,7-8,13-17H2
InChIKeyFLOXDSRZYUXDLO-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.50
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide

N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 78796030) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID78796030
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccccc1S(=O)(=O)N1CCCCC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C21H26N2O4S/c24-16-15-22(17-18-9-3-1-4-10-18)21(25)19-11-5-6-12-20(19)28(26,27)23-13-7-2-8-14-23/h1,3-6,9-12,24H,2,7-8,13-17H2
InChIKeyFLOXDSRZYUXDLO-UHFFFAOYSA-N
XLogP2.50
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-benzyl-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653937
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
3-(azepan-1-ylsulfonyl)-N-benzyl-4-chloro-N-(2-methoxyethyl)benzamide
CID 26292081
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55336076
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55918493
N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
CID 78795855

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide (CID 78796030) is N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide is O=C(c1ccccc1S(=O)(=O)N1CCCCC1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FLOXDSRZYUXDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-16-15-22(17-18-9-3-1-4-10-18)21(25)19-11-5-6-12-20(19)28(26,27)23-13-7-2-8-14-23/h1,3-6,9-12,24H,2,7-8,13-17H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78796030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).