4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide

C13H18N2O4S — CID 43589644

IUPAC4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C13H18N2O4S/c14-13(17)11-3-5-12(6-4-11)20(18,19)15-7-1-2-10(8-15)9-16/h3-6,10,16H,1-2,7-9H2,(H2,14,17)
InChIKeyABMDXINABHZMJY-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.18
Rot. Bonds4

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

4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 43589644) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
PubChem CID43589644
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C13H18N2O4S/c14-13(17)11-3-5-12(6-4-11)20(18,19)15-7-1-2-10(8-15)9-16/h3-6,10,16H,1-2,7-9H2,(H2,14,17)
InChIKeyABMDXINABHZMJY-UHFFFAOYSA-N
XLogP0.18
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzamide
CID 62357804
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]sulfonylbenzamide
CID 131919801
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 107227408
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methylbenzenecarbothioamide
CID 106920062
[1-(4-cyclopentyloxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 110294898
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)benzamide
CID 115314215
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide (CID 43589644) is 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide is NC(=O)c1ccc(S(=O)(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is ABMDXINABHZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-13(17)11-3-5-12(6-4-11)20(18,19)15-7-1-2-10(8-15)9-16/h3-6,10,16H,1-2,7-9H2,(H2,14,17).
What are the key properties of 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide?
4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 43589644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).