N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C19H22N2O4S — CID 1262336

IUPACN-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-8-9-18(22)17(12-14)20-19(23)15-6-5-7-16(13-15)26(24,25)21-10-3-2-4-11-21/h5-9,12-13,22H,2-4,10-11H2,1H3,(H,20,23)
InChIKeyNCMBUTNTNRALQG-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.13
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1262336) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1262336
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-8-9-18(22)17(12-14)20-19(23)15-6-5-7-16(13-15)26(24,25)21-10-3-2-4-11-21/h5-9,12-13,22H,2-4,10-11H2,1H3,(H,20,23)
InChIKeyNCMBUTNTNRALQG-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxy-phenyl)-3-(3-hydroxy-phenylsulfamoyl)-benzamide
CID 1069242
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
2-chloro-N-(2-hydroxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 1316792
N-(2-Methoxy-phenyl)-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1428595
N-(2-methoxyphenyl)-4-methyl-3-(piperidine-1-sulfonyl)benzamide
CID 2599466

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 1262336) is N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NCMBUTNTNRALQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-8-9-18(22)17(12-14)20-19(23)15-6-5-7-16(13-15)26(24,25)21-10-3-2-4-11-21/h5-9,12-13,22H,2-4,10-11H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1262336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).