N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide

C14H12N2O5S — CID 3022154

IUPACN'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N2O5S/c17-11-8-6-10(7-9-11)15-13(18)14(19)16-22(20,21)12-4-2-1-3-5-12/h1-9,17H,(H,15,18)(H,16,19)
InChIKeyLMCXQKLWSVYZLV-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.84
Rot. Bonds3

About N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide

N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide (PubChem CID 3022154) has the molecular formula C14H12N2O5S and a molecular weight of 320.33 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide
PubChem CID3022154
Molecular FormulaC14H12N2O5S
Molecular Weight320.33 g/mol
Exact Mass320.05
IUPAC NameN'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N2O5S/c17-11-8-6-10(7-9-11)15-13(18)14(19)16-22(20,21)12-4-2-1-3-5-12/h1-9,17H,(H,15,18)(H,16,19)
InChIKeyLMCXQKLWSVYZLV-UHFFFAOYSA-N
XLogP0.84
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide?
The IUPAC name of N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide (CID 3022154) is N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide is O=C(Nc1ccc(O)cc1)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide?
The InChIKey is LMCXQKLWSVYZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S/c17-11-8-6-10(7-9-11)15-13(18)14(19)16-22(20,21)12-4-2-1-3-5-12/h1-9,17H,(H,15,18)(H,16,19).
What are the key properties of N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide?
N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide has a molecular weight of 320.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-(4-hydroxyphenyl)oxamide is sourced from PubChem (CID 3022154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).