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

C14H20N2O4S — CID 78794594

IUPACN-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCO)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O4S/c17-11-8-15-14(18)12-6-2-3-7-13(12)21(19,20)16-9-4-1-5-10-16/h2-3,6-7,17H,1,4-5,8-11H2,(H,15,18)
InChIKeyNBPCJYNGXZPIFH-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.58
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 78794594) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID78794594
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCO)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O4S/c17-11-8-15-14(18)12-6-2-3-7-13(12)21(19,20)16-9-4-1-5-10-16/h2-3,6-7,17H,1,4-5,8-11H2,(H,15,18)
InChIKeyNBPCJYNGXZPIFH-UHFFFAOYSA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
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N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
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N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55396039
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide (CID 78794594) is N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide is O=C(NCCO)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NBPCJYNGXZPIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-11-8-15-14(18)12-6-2-3-7-13(12)21(19,20)16-9-4-1-5-10-16/h2-3,6-7,17H,1,4-5,8-11H2,(H,15,18).
What are the key properties of N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78794594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).