N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

C17H18N2O5S — CID 1087707

IUPACN-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N2O5S/c20-16-7-2-1-6-15(16)18-17(21)13-4-3-5-14(12-13)25(22,23)19-8-10-24-11-9-19/h1-7,12,20H,8-11H2,(H,18,21)
InChIKeyJFVWPDOTGHDWHG-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.67
Rot. Bonds4

About N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1087707) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1087707
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H18N2O5S/c20-16-7-2-1-6-15(16)18-17(21)13-4-3-5-14(12-13)25(22,23)19-8-10-24-11-9-19/h1-7,12,20H,8-11H2,(H,18,21)
InChIKeyJFVWPDOTGHDWHG-UHFFFAOYSA-N
XLogP1.67
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(3-Hydroxy-phenyl)-3-(3-hydroxy-phenylsulfamoyl)-benzamide
CID 1069242
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 5213203
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
4-fluoro-N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1078655
3-[4-Methyl-3-(morpholine-4-sulfonyl)-benzoylamino]-benzoic acid
CID 1081904

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1087707) is N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JFVWPDOTGHDWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-16-7-2-1-6-15(16)18-17(21)13-4-3-5-14(12-13)25(22,23)19-8-10-24-11-9-19/h1-7,12,20H,8-11H2,(H,18,21).
What are the key properties of N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 362.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1087707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).