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

C18H13NO5S2 — CID 992616

IUPAC4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1
InChIInChI=1S/C18H13NO5S2/c1-23-11-6-8-12(9-7-11)26(21,22)19-15-10-16-17(24-18(20)25-16)14-5-3-2-4-13(14)15/h2-10,19H,1H3
InChIKeyXGHYDSDPYZANEC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.82
Rot. Bonds4

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

4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (PubChem CID 992616) has the molecular formula C18H13NO5S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
PubChem CID992616
Molecular FormulaC18H13NO5S2
Molecular Weight387.44 g/mol
Exact Mass387.02
IUPAC Name4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1
InChIInChI=1S/C18H13NO5S2/c1-23-11-6-8-12(9-7-11)26(21,22)19-15-10-16-17(24-18(20)25-16)14-5-3-2-4-13(14)15/h2-10,19H,1H3
InChIKeyXGHYDSDPYZANEC-UHFFFAOYSA-N
XLogP3.82
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.82
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-{[(4-Ethoxyphenyl)sulfonyl]amino}-1-hydroxy-2-naphthyl)sulfanyl]acetic acid
CID 992589
[(1-Hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-2-naphthyl)thio]acetic acid
CID 2058961
2-((1-Hydroxy-4-(4-phenoxyphenylsulfonamido)naphthalen-2-yl)thio)acetic acid
CID 86765310
2-[4-[[4-(4-Fluorophenoxy)phenyl]sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 89493672
N-(6-methyl-2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 4826177
N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methoxybenzenesulfonamide
CID 2212161
[4-Hydroxy-3-(4-methylphenylthio)naphthyl][(4-methoxyphenyl)sulfonyl]amine
CID 1184137
4-ethoxy-N-[4-hydroxy-3-(4-methylphenyl)sulfanylnaphthalen-1-yl]benzenesulfonamide
CID 2486095
[(1-(Acetyloxy)-4-{[(4-fluorophenyl)sulfonyl]amino}-2-naphthyl)sulfanyl]acetic acid
CID 9541667
2-[1-Methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 71548705
Methyl 2-((4-(4-bromophenylsulfonamido)-1-methoxynaphthalen-2-yl)thio)acetate
CID 71548999
Methyl 2-((4-([1,1'-biphenyl]-4-ylsulfonamido)-1-methoxynaphthalen-2-yl)thio)acetate
CID 86730597

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (CID 992616) is 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The InChIKey is XGHYDSDPYZANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5S2/c1-23-11-6-8-12(9-7-11)26(21,22)19-15-10-16-17(24-18(20)25-16)14-5-3-2-4-13(14)15/h2-10,19H,1H3.
What are the key properties of 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is sourced from PubChem (CID 992616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).