4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide

C15H13NO5S2 — CID 1079378

IUPAC4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1
InChIInChI=1S/C15H13NO5S2/c1-2-20-11-4-6-12(7-5-11)23(18,19)16-10-3-8-13-14(9-10)22-15(17)21-13/h3-9,16H,2H2,1H3
InChIKeyUZNBUKKAHAHPGJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.05
Rot. Bonds5

About 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide

4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide (PubChem CID 1079378) has the molecular formula C15H13NO5S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
PubChem CID1079378
Molecular FormulaC15H13NO5S2
Molecular Weight351.41 g/mol
Exact Mass351.02
IUPAC Name4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1
InChIInChI=1S/C15H13NO5S2/c1-2-20-11-4-6-12(7-5-11)23(18,19)16-10-3-8-13-14(9-10)22-15(17)21-13/h3-9,16H,2H2,1H3
InChIKeyUZNBUKKAHAHPGJ-UHFFFAOYSA-N
XLogP3.05
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbonate_A(15)', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 7014167
4-fluoro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 697338
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
4-ethoxy-N-[(8S)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 1183850
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide (CID 1079378) is 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)cc1.
What is the InChIKey of 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
The InChIKey is UZNBUKKAHAHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S2/c1-2-20-11-4-6-12(7-5-11)23(18,19)16-10-3-8-13-14(9-10)22-15(17)21-13/h3-9,16H,2H2,1H3.
What are the key properties of 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide?
4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide has a molecular weight of 351.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1079378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).