7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide

C8H10N2O4S3 — CID 10063044

IUPAC7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)C1CCN2C1
InChIInChI=1S/C8H10N2O4S3/c9-17(13,14)7-3-6-8(15-7)16(11,12)5-1-2-10(6)4-5/h3,5H,1-2,4H2,(H2,9,13,14)
InChIKeyYKJJAIDHLAVWOX-UHFFFAOYSA-N
MW294.38 g/mol
LogP-0.24
Rot. Bonds1

About 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide

7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide (PubChem CID 10063044) has the molecular formula C8H10N2O4S3 and a molecular weight of 294.38 g/mol. Its IUPAC name is 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide.

Molecular Properties

Compound Name7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide
PubChem CID10063044
Molecular FormulaC8H10N2O4S3
Molecular Weight294.38 g/mol
Exact Mass293.98
IUPAC Name7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide
SMILESNS(=O)(=O)c1cc2c(s1)S(=O)(=O)C1CCN2C1
InChIInChI=1S/C8H10N2O4S3/c9-17(13,14)7-3-6-8(15-7)16(11,12)5-1-2-10(6)4-5/h3,5H,1-2,4H2,(H2,9,13,14)
InChIKeyYKJJAIDHLAVWOX-UHFFFAOYSA-N
XLogP-0.24
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide?
The IUPAC name of 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide (CID 10063044) is 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide.
What is the SMILES notation for 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide?
The canonical SMILES for 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide is NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C1CCN2C1.
What is the InChIKey of 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide?
The InChIKey is YKJJAIDHLAVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S3/c9-17(13,14)7-3-6-8(15-7)16(11,12)5-1-2-10(6)4-5/h3,5H,1-2,4H2,(H2,9,13,14).
What are the key properties of 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide?
7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-5,7λ6-dithia-1-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-4-sulfonamide is sourced from PubChem (CID 10063044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).