N-sulfanylisoquinoline-7-sulfonamide

C9H8N2O2S2 — CID 147616091

IUPACN-sulfanylisoquinoline-7-sulfonamide
SMILESO=S(=O)(NS)c1ccc2ccncc2c1
InChIInChI=1S/C9H8N2O2S2/c12-15(13,11-14)9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11,14H
InChIKeyGCYPRDAXLAKGSI-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.36
Rot. Bonds2

About N-sulfanylisoquinoline-7-sulfonamide

N-sulfanylisoquinoline-7-sulfonamide (PubChem CID 147616091) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-sulfanylisoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-sulfanylisoquinoline-7-sulfonamide
PubChem CID147616091
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC NameN-sulfanylisoquinoline-7-sulfonamide
SMILESO=S(=O)(NS)c1ccc2ccncc2c1
InChIInChI=1S/C9H8N2O2S2/c12-15(13,11-14)9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11,14H
InChIKeyGCYPRDAXLAKGSI-UHFFFAOYSA-N
XLogP1.36
TPSA59.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-sulfanylisoquinoline-7-sulfonamide?
The IUPAC name of N-sulfanylisoquinoline-7-sulfonamide (CID 147616091) is N-sulfanylisoquinoline-7-sulfonamide.
What is the SMILES notation for N-sulfanylisoquinoline-7-sulfonamide?
The canonical SMILES for N-sulfanylisoquinoline-7-sulfonamide is O=S(=O)(NS)c1ccc2ccncc2c1.
What is the InChIKey of N-sulfanylisoquinoline-7-sulfonamide?
The InChIKey is GCYPRDAXLAKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c12-15(13,11-14)9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11,14H.
What are the key properties of N-sulfanylisoquinoline-7-sulfonamide?
N-sulfanylisoquinoline-7-sulfonamide has a molecular weight of 240.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylisoquinoline-7-sulfonamide is sourced from PubChem (CID 147616091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).