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

C23H29N3O7S2 — CID 3319120

IUPACN-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C23H29N3O7S2/c1-17-5-6-18(34(29,30)26-11-13-33-14-12-26)15-20(17)23(28)24-21-16-19(7-8-22(21)27)35(31,32)25-9-3-2-4-10-25/h5-8,15-16,27H,2-4,9-14H2,1H3,(H,24,28)
InChIKeyHOFYNIISRCGQGD-UHFFFAOYSA-N
MW523.63 g/mol
LogP2.15
Rot. Bonds6

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

N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 3319120) has the molecular formula C23H29N3O7S2 and a molecular weight of 523.63 g/mol. Its IUPAC name is N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID3319120
Molecular FormulaC23H29N3O7S2
Molecular Weight523.63 g/mol
Exact Mass523.14
IUPAC NameN-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C23H29N3O7S2/c1-17-5-6-18(34(29,30)26-11-13-33-14-12-26)15-20(17)23(28)24-21-16-19(7-8-22(21)27)35(31,32)25-9-3-2-4-10-25/h5-8,15-16,27H,2-4,9-14H2,1H3,(H,24,28)
InChIKeyHOFYNIISRCGQGD-UHFFFAOYSA-N
XLogP2.15
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-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
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
N-(2-methoxyethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 2344182
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
2-cyclopentyl-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5039475
N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-methylbenzamide
CID 6461849
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 5126912
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 5236593

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 3319120) is N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HOFYNIISRCGQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S2/c1-17-5-6-18(34(29,30)26-11-13-33-14-12-26)15-20(17)23(28)24-21-16-19(7-8-22(21)27)35(31,32)25-9-3-2-4-10-25/h5-8,15-16,27H,2-4,9-14H2,1H3,(H,24,28).
What are the key properties of N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 523.63 g/mol, XLogP of 2.15, 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-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3319120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).