4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide

C14H20N2O4S — CID 62357804

IUPAC4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C14H20N2O4S/c15-14(18)12-3-5-13(6-4-12)21(19,20)16-8-1-2-11(10-16)7-9-17/h3-6,11,17H,1-2,7-10H2,(H2,15,18)
InChIKeyXJDLHKRPCTXUDC-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.57
Rot. Bonds5

About 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide

4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 62357804) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
PubChem CID62357804
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C14H20N2O4S/c15-14(18)12-3-5-13(6-4-12)21(19,20)16-8-1-2-11(10-16)7-9-17/h3-6,11,17H,1-2,7-10H2,(H2,15,18)
InChIKeyXJDLHKRPCTXUDC-UHFFFAOYSA-N
XLogP0.57
TPSA100.70 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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
CID 43589644
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]sulfonylbenzamide
CID 131919801
2-[1-[4-(aminomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 114797364
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
2-[1-[(2-amino-4-pyridinyl)sulfonyl]piperidin-3-yl]ethanol
CID 107228635
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide (CID 62357804) is 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide is NC(=O)c1ccc(S(=O)(=O)N2CCCC(CCO)C2)cc1.
What is the InChIKey of 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is XJDLHKRPCTXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c15-14(18)12-3-5-13(6-4-12)21(19,20)16-8-1-2-11(10-16)7-9-17/h3-6,11,17H,1-2,7-10H2,(H2,15,18).
What are the key properties of 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide?
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 62357804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).