N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide

C19H22N2O5S — CID 2979358

IUPACN-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC(O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N2O5S/c22-18(15-5-2-1-3-6-15)14-20-19(23)16-7-4-8-17(13-16)27(24,25)21-9-11-26-12-10-21/h1-8,13,18,22H,9-12,14H2,(H,20,23)
InChIKeyQWXRPDXBKFFMMM-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.17
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2979358) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2979358
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC(O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N2O5S/c22-18(15-5-2-1-3-6-15)14-20-19(23)16-7-4-8-17(13-16)27(24,25)21-9-11-26-12-10-21/h1-8,13,18,22H,9-12,14H2,(H,20,23)
InChIKeyQWXRPDXBKFFMMM-UHFFFAOYSA-N
XLogP1.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 2979358) is N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(NCC(O)c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QWXRPDXBKFFMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-18(15-5-2-1-3-6-15)14-20-19(23)16-7-4-8-17(13-16)27(24,25)21-9-11-26-12-10-21/h1-8,13,18,22H,9-12,14H2,(H,20,23).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 390.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2979358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).