N-[bis(methylsulfanyl)methylidene]benzenesulfonamide

C9H11NO2S3 — CID 727967

IUPACN-[bis(methylsulfanyl)methylidene]benzenesulfonamide
SMILESCSC(=NS(=O)(=O)c1ccccc1)SC
InChIInChI=1S/C9H11NO2S3/c1-13-9(14-2)10-15(11,12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyXWVYQRKBYBNCLU-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.46
Rot. Bonds2

About N-[bis(methylsulfanyl)methylidene]benzenesulfonamide

N-[bis(methylsulfanyl)methylidene]benzenesulfonamide (PubChem CID 727967) has the molecular formula C9H11NO2S3 and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[bis(methylsulfanyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[bis(methylsulfanyl)methylidene]benzenesulfonamide
PubChem CID727967
Molecular FormulaC9H11NO2S3
Molecular Weight261.39 g/mol
Exact Mass261.00
IUPAC NameN-[bis(methylsulfanyl)methylidene]benzenesulfonamide
SMILESCSC(=NS(=O)(=O)c1ccccc1)SC
InChIInChI=1S/C9H11NO2S3/c1-13-9(14-2)10-15(11,12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyXWVYQRKBYBNCLU-UHFFFAOYSA-N
XLogP2.46
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis(methylsulfanyl)methylidene]benzenesulfonamide?
The IUPAC name of N-[bis(methylsulfanyl)methylidene]benzenesulfonamide (CID 727967) is N-[bis(methylsulfanyl)methylidene]benzenesulfonamide.
What is the SMILES notation for N-[bis(methylsulfanyl)methylidene]benzenesulfonamide?
The canonical SMILES for N-[bis(methylsulfanyl)methylidene]benzenesulfonamide is CSC(=NS(=O)(=O)c1ccccc1)SC.
What is the InChIKey of N-[bis(methylsulfanyl)methylidene]benzenesulfonamide?
The InChIKey is XWVYQRKBYBNCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S3/c1-13-9(14-2)10-15(11,12)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N-[bis(methylsulfanyl)methylidene]benzenesulfonamide?
N-[bis(methylsulfanyl)methylidene]benzenesulfonamide has a molecular weight of 261.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(methylsulfanyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 727967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).