2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide

C14H13NO4S — CID 1259997

IUPAC2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1O
InChIInChI=1S/C14H13NO4S/c16-13-9-5-4-8-12(13)15-14(17)10-20(18,19)11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
InChIKeyNTAMMPRPFXHBCE-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.80
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide

2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide (PubChem CID 1259997) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide
PubChem CID1259997
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1O
InChIInChI=1S/C14H13NO4S/c16-13-9-5-4-8-12(13)15-14(17)10-20(18,19)11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
InChIKeyNTAMMPRPFXHBCE-UHFFFAOYSA-N
XLogP1.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide (CID 1259997) is 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1O.
What is the InChIKey of 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide?
The InChIKey is NTAMMPRPFXHBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-13-9-5-4-8-12(13)15-14(17)10-20(18,19)11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17).
What are the key properties of 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide?
2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 1259997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).