4-(4-acetamidophenyl)benzenesulfinic acid

C14H13NO3S — CID 154266500

IUPAC4-(4-acetamidophenyl)benzenesulfinic acid
SMILESCC(=O)Nc1ccc(-c2ccc(S(=O)O)cc2)cc1
InChIInChI=1S/C14H13NO3S/c1-10(16)15-13-6-2-11(3-7-13)12-4-8-14(9-5-12)19(17)18/h2-9H,1H3,(H,15,16)(H,17,18)
InChIKeyVKVSUYACOFVXCX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.89
Rot. Bonds3

About 4-(4-acetamidophenyl)benzenesulfinic acid

4-(4-acetamidophenyl)benzenesulfinic acid (PubChem CID 154266500) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)benzenesulfinic acid.

Molecular Properties

Compound Name4-(4-acetamidophenyl)benzenesulfinic acid
PubChem CID154266500
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name4-(4-acetamidophenyl)benzenesulfinic acid
SMILESCC(=O)Nc1ccc(-c2ccc(S(=O)O)cc2)cc1
InChIInChI=1S/C14H13NO3S/c1-10(16)15-13-6-2-11(3-7-13)12-4-8-14(9-5-12)19(17)18/h2-9H,1H3,(H,15,16)(H,17,18)
InChIKeyVKVSUYACOFVXCX-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;4-acetamidobenzenesulfinic acid;hydride
CID 173018720
N-(4-phenylphenyl)acetamide
CID 19998
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
N-(4-methylphenyl)acetamide
CID 7684
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
sodium;4-(2-acetamido-1,3-thiazol-4-yl)benzenesulfinic acid;hydride
CID 173149508
6-acetamido-4-hydroxynaphthalene-2-sulfinic acid
CID 57237886
4-acetamidobenzoyl chloride
CID 7010341
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099
N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
CID 54399317
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)benzenesulfinic acid?
The IUPAC name of 4-(4-acetamidophenyl)benzenesulfinic acid (CID 154266500) is 4-(4-acetamidophenyl)benzenesulfinic acid.
What is the SMILES notation for 4-(4-acetamidophenyl)benzenesulfinic acid?
The canonical SMILES for 4-(4-acetamidophenyl)benzenesulfinic acid is CC(=O)Nc1ccc(-c2ccc(S(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)benzenesulfinic acid?
The InChIKey is VKVSUYACOFVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-10(16)15-13-6-2-11(3-7-13)12-4-8-14(9-5-12)19(17)18/h2-9H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-acetamidophenyl)benzenesulfinic acid?
4-(4-acetamidophenyl)benzenesulfinic acid has a molecular weight of 275.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)benzenesulfinic acid is sourced from PubChem (CID 154266500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).