N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide

C19H20N2O6S — CID 43853441

IUPACN-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1
InChIInChI=1S/C19H20N2O6S/c1-13(22)14-2-4-15(5-3-14)20-19(24)17-12-16(6-7-18(17)23)28(25,26)21-8-10-27-11-9-21/h2-7,12,23H,8-11H2,1H3,(H,20,24)
InChIKeyNFKWOZQZARBEET-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.87
Rot. Bonds5

About N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide

N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43853441) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43853441
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1
InChIInChI=1S/C19H20N2O6S/c1-13(22)14-2-4-15(5-3-14)20-19(24)17-12-16(6-7-18(17)23)28(25,26)21-8-10-27-11-9-21/h2-7,12,23H,8-11H2,1H3,(H,20,24)
InChIKeyNFKWOZQZARBEET-UHFFFAOYSA-N
XLogP1.87
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467
2-hydroxy-N-(3-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853473
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26253160
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide (CID 43853441) is N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide is CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NFKWOZQZARBEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-13(22)14-2-4-15(5-3-14)20-19(24)17-12-16(6-7-18(17)23)28(25,26)21-8-10-27-11-9-21/h2-7,12,23H,8-11H2,1H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide?
N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 404.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43853441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).