[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate

C17H19N3O5S — CID 2102825

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H19N3O5S/c1-20(2)14-7-3-12(4-8-14)17(22)25-11-16(21)19-13-5-9-15(10-6-13)26(18,23)24/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,23,24)
InChIKeyQQKZFAXPFFBJBQ-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.20
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate (PubChem CID 2102825) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
PubChem CID2102825
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H19N3O5S/c1-20(2)14-7-3-12(4-8-14)17(22)25-11-16(21)19-13-5-9-15(10-6-13)26(18,23)24/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,23,24)
InChIKeyQQKZFAXPFFBJBQ-UHFFFAOYSA-N
XLogP1.20
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate (CID 2102825) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate?
The InChIKey is QQKZFAXPFFBJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-20(2)14-7-3-12(4-8-14)17(22)25-11-16(21)19-13-5-9-15(10-6-13)26(18,23)24/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,23,24).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate has a molecular weight of 377.42 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2102825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).