2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide

C18H19ClN2O4S — CID 2876082

IUPAC2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H19ClN2O4S/c19-15-9-8-13(26(24,25)21-10-4-1-5-11-21)12-14(15)18(23)20-16-6-2-3-7-17(16)22/h2-3,6-9,12,22H,1,4-5,10-11H2,(H,20,23)
InChIKeyBYEHTQBHZQCTEU-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2876082) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2876082
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H19ClN2O4S/c19-15-9-8-13(26(24,25)21-10-4-1-5-11-21)12-14(15)18(23)20-16-6-2-3-7-17(16)22/h2-3,6-9,12,22H,1,4-5,10-11H2,(H,20,23)
InChIKeyBYEHTQBHZQCTEU-UHFFFAOYSA-N
XLogP3.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
2-chloro-N-(3-hydroxyphenyl)-5-(pyrrolidine-1-sulfonyl)benzamide
CID 647560
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
2-Chloro-N-(4-ethanesulfonyl-2-hydroxy-phenyl)-benzamide
CID 651430
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholinosulfonyl-benzamide
CID 1087710
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
2-chloro-N-(2-hydroxyphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1316792
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2395136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 2876082) is 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BYEHTQBHZQCTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-15-9-8-13(26(24,25)21-10-4-1-5-11-21)12-14(15)18(23)20-16-6-2-3-7-17(16)22/h2-3,6-9,12,22H,1,4-5,10-11H2,(H,20,23).
What are the key properties of 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2876082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).