3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

C19H22N2O4S — CID 108562939

IUPAC3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-7-18(8-6-14)26(24,25)21-11-9-16(10-12-21)20-19(23)15-3-2-4-17(22)13-15/h2-8,13,16,22H,9-12H2,1H3,(H,20,23)
InChIKeyKVARLXCABGZZPI-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.28
Rot. Bonds4

About 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 108562939) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID108562939
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-7-18(8-6-14)26(24,25)21-11-9-16(10-12-21)20-19(23)15-3-2-4-17(22)13-15/h2-8,13,16,22H,9-12H2,1H3,(H,20,23)
InChIKeyKVARLXCABGZZPI-UHFFFAOYSA-N
XLogP2.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562882
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 108562939) is 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)cc1.
What is the InChIKey of 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is KVARLXCABGZZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-5-7-18(8-6-14)26(24,25)21-11-9-16(10-12-21)20-19(23)15-3-2-4-17(22)13-15/h2-8,13,16,22H,9-12H2,1H3,(H,20,23).
What are the key properties of 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 108562939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).