2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide

C18H20N2O5S — CID 43853467

IUPAC2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1
InChIInChI=1S/C18H20N2O5S/c1-13-3-2-4-14(11-13)19-18(22)16-12-15(5-6-17(16)21)26(23,24)20-7-9-25-10-8-20/h2-6,11-12,21H,7-10H2,1H3,(H,19,22)
InChIKeyJKNYOCNWWVNPNG-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.97
Rot. Bonds4

About 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide

2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43853467) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43853467
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1
InChIInChI=1S/C18H20N2O5S/c1-13-3-2-4-14(11-13)19-18(22)16-12-15(5-6-17(16)21)26(23,24)20-7-9-25-10-8-20/h2-6,11-12,21H,7-10H2,1H3,(H,19,22)
InChIKeyJKNYOCNWWVNPNG-UHFFFAOYSA-N
XLogP1.97
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-hydroxy-N-(3-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853473
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853441
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 43853467) is 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1.
What is the InChIKey of 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JKNYOCNWWVNPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13-3-2-4-14(11-13)19-18(22)16-12-15(5-6-17(16)21)26(23,24)20-7-9-25-10-8-20/h2-6,11-12,21H,7-10H2,1H3,(H,19,22).
What are the key properties of 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43853467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).