N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide

C15H10FNO5S2 — CID 1094874

IUPACN-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide
SMILESCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FNO5S2/c1-9(18)17(24(20,21)12-5-2-10(16)3-6-12)11-4-7-13-14(8-11)23-15(19)22-13/h2-8H,1H3
InChIKeyRVSWFISFUNOPQT-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.74
Rot. Bonds3

About N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide

N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide (PubChem CID 1094874) has the molecular formula C15H10FNO5S2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide
PubChem CID1094874
Molecular FormulaC15H10FNO5S2
Molecular Weight367.38 g/mol
Exact Mass367.00
IUPAC NameN-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide
SMILESCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FNO5S2/c1-9(18)17(24(20,21)12-5-2-10(16)3-6-12)11-4-7-13-14(8-11)23-15(19)22-13/h2-8H,1H3
InChIKeyRVSWFISFUNOPQT-UHFFFAOYSA-N
XLogP2.74
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-1,3-benzoxathiol-5-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide
CID 7013998
N-(4-bromophenyl)sulfonyl-2-methyl-N-(2-oxo-1,3-benzoxathiol-5-yl)propanamide
CID 3655906
4-chloro-N-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
CID 3469254
N-(2,5-dimethoxyphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide
CID 5122341
N-(4-chlorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)butanamide
CID 3311047
N-(4-fluoro-2-methylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
CID 3629326
N-(4-chlorophenyl)sulfonyl-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
CID 18560654
4-fluoro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 697338
N-(2,5-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)cyclohexanecarboxamide
CID 4521514
N-(5-tert-butyl-2,3-dimethylphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)pyridine-3-carboxamide
CID 5151513
ethyl 5-[acetyl-(4-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 6618100
methyl 5-[acetyl-(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 6618093

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide (CID 1094874) is N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide is CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide?
The InChIKey is RVSWFISFUNOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO5S2/c1-9(18)17(24(20,21)12-5-2-10(16)3-6-12)11-4-7-13-14(8-11)23-15(19)22-13/h2-8H,1H3.
What are the key properties of N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide?
N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide is sourced from PubChem (CID 1094874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).