5-formyl-2-phenoxybenzenesulfonamide

C13H11NO4S — CID 129252549

IUPAC5-formyl-2-phenoxybenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C=O)ccc1Oc1ccccc1
InChIInChI=1S/C13H11NO4S/c14-19(16,17)13-8-10(9-15)6-7-12(13)18-11-4-2-1-3-5-11/h1-9H,(H2,14,16,17)
InChIKeyFBVGYYFKIRXNQH-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.94
Rot. Bonds4

About 5-formyl-2-phenoxybenzenesulfonamide

5-formyl-2-phenoxybenzenesulfonamide (PubChem CID 129252549) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-formyl-2-phenoxybenzenesulfonamide.

Molecular Properties

Compound Name5-formyl-2-phenoxybenzenesulfonamide
PubChem CID129252549
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name5-formyl-2-phenoxybenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C=O)ccc1Oc1ccccc1
InChIInChI=1S/C13H11NO4S/c14-19(16,17)13-8-10(9-15)6-7-12(13)18-11-4-2-1-3-5-11/h1-9H,(H2,14,16,17)
InChIKeyFBVGYYFKIRXNQH-UHFFFAOYSA-N
XLogP1.94
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-2-phenoxy-3-pyrrolidin-1-ylbenzenesulfonamide
CID 11493978
2-ethoxy-5-phenoxybenzenesulfonamide
CID 155234436
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
4-hydroxy-3,5-diphenoxybenzaldehyde
CID 101190258
2-fluoro-5-formylbenzenesulfonamide
CID 112756760
4-(2-hydroxyphenoxy)benzaldehyde
CID 13266147
2-benzyl-3-butoxy-5-formylbenzenesulfonamide
CID 54156767
3-fluoro-4-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807105
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
5-amino-2-(3-cyanophenoxy)benzenesulfonamide
CID 78985266
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-phenoxybenzenesulfonamide?
The IUPAC name of 5-formyl-2-phenoxybenzenesulfonamide (CID 129252549) is 5-formyl-2-phenoxybenzenesulfonamide.
What is the SMILES notation for 5-formyl-2-phenoxybenzenesulfonamide?
The canonical SMILES for 5-formyl-2-phenoxybenzenesulfonamide is NS(=O)(=O)c1cc(C=O)ccc1Oc1ccccc1.
What is the InChIKey of 5-formyl-2-phenoxybenzenesulfonamide?
The InChIKey is FBVGYYFKIRXNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c14-19(16,17)13-8-10(9-15)6-7-12(13)18-11-4-2-1-3-5-11/h1-9H,(H2,14,16,17).
What are the key properties of 5-formyl-2-phenoxybenzenesulfonamide?
5-formyl-2-phenoxybenzenesulfonamide has a molecular weight of 277.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-phenoxybenzenesulfonamide is sourced from PubChem (CID 129252549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).