4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide

C17H10FNO4S2 — CID 1079380

IUPAC4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESO=c1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)s1
InChIInChI=1S/C17H10FNO4S2/c18-10-5-7-11(8-6-10)25(21,22)19-14-9-15-16(23-17(20)24-15)13-4-2-1-3-12(13)14/h1-9,19H
InChIKeyBVNUXBFJKISTIP-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.95
Rot. Bonds3

About 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide

4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (PubChem CID 1079380) has the molecular formula C17H10FNO4S2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
PubChem CID1079380
Molecular FormulaC17H10FNO4S2
Molecular Weight375.40 g/mol
Exact Mass375.00
IUPAC Name4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESO=c1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)s1
InChIInChI=1S/C17H10FNO4S2/c18-10-5-7-11(8-6-10)25(21,22)19-14-9-15-16(23-17(20)24-15)13-4-2-1-3-12(13)14/h1-9,19H
InChIKeyBVNUXBFJKISTIP-UHFFFAOYSA-N
XLogP3.95
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (CID 1079380) is 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is O=c1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)s1.
What is the InChIKey of 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The InChIKey is BVNUXBFJKISTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO4S2/c18-10-5-7-11(8-6-10)25(21,22)19-14-9-15-16(23-17(20)24-15)13-4-2-1-3-12(13)14/h1-9,19H.
What are the key properties of 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide has a molecular weight of 375.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1079380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).