[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate

C19H21N3O8S2 — CID 4853651

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H21N3O8S2/c20-31(25,26)17-3-1-2-15(12-17)21-18(23)13-30-19(24)14-4-6-16(7-5-14)32(27,28)22-8-10-29-11-9-22/h1-7,12H,8-11,13H2,(H,21,23)(H2,20,25,26)
InChIKeyQPGDJXKWANEQHP-UHFFFAOYSA-N
MW483.52 g/mol
LogP0.15
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 4853651) has the molecular formula C19H21N3O8S2 and a molecular weight of 483.52 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID4853651
Molecular FormulaC19H21N3O8S2
Molecular Weight483.52 g/mol
Exact Mass483.08
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H21N3O8S2/c20-31(25,26)17-3-1-2-15(12-17)21-18(23)13-30-19(24)14-4-6-16(7-5-14)32(27,28)22-8-10-29-11-9-22/h1-7,12H,8-11,13H2,(H,21,23)(H2,20,25,26)
InChIKeyQPGDJXKWANEQHP-UHFFFAOYSA-N
XLogP0.15
TPSA162.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 4853651) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is QPGDJXKWANEQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O8S2/c20-31(25,26)17-3-1-2-15(12-17)21-18(23)13-30-19(24)14-4-6-16(7-5-14)32(27,28)22-8-10-29-11-9-22/h1-7,12H,8-11,13H2,(H,21,23)(H2,20,25,26).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 483.52 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 4853651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).