N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide

C22H27N3O7S2 — CID 5236593

IUPACN-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O7S2/c26-21-9-8-19(34(30,31)25-12-14-32-15-13-25)16-20(21)23-22(27)17-4-6-18(7-5-17)33(28,29)24-10-2-1-3-11-24/h4-9,16,26H,1-3,10-15H2,(H,23,27)
InChIKeyDTJDFYQIENWZMO-UHFFFAOYSA-N
MW509.61 g/mol
LogP1.84
Rot. Bonds6

About N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 5236593) has the molecular formula C22H27N3O7S2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID5236593
Molecular FormulaC22H27N3O7S2
Molecular Weight509.61 g/mol
Exact Mass509.13
IUPAC NameN-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O7S2/c26-21-9-8-19(34(30,31)25-12-14-32-15-13-25)16-20(21)23-22(27)17-4-6-18(7-5-17)33(28,29)24-10-2-1-3-11-24/h4-9,16,26H,1-3,10-15H2,(H,23,27)
InChIKeyDTJDFYQIENWZMO-UHFFFAOYSA-N
XLogP1.84
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-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

4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
Ethyl 4-[(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoate
CID 4585809
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
N-(2-Methoxy-phenyl)-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1428595
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2404318
N-(2-Methoxy-phenyl)-4-(3-methyl-piperidine-1-sulfonyl)-benzamide
CID 3193365
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895
4-(azepan-1-ylsulfonyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4337954
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 4659956

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 5236593) is N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DTJDFYQIENWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S2/c26-21-9-8-19(34(30,31)25-12-14-32-15-13-25)16-20(21)23-22(27)17-4-6-18(7-5-17)33(28,29)24-10-2-1-3-11-24/h4-9,16,26H,1-3,10-15H2,(H,23,27).
What are the key properties of N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 509.61 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 5236593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).