2-methyl-N-(oxomethylidene)benzenesulfonamide

C8H7NO3S — CID 2733313

IUPAC2-methyl-N-(oxomethylidene)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N=C=O
InChIInChI=1S/C8H7NO3S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10/h2-5H,1H3
InChIKeyHEBTZZBBPUFAFE-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.02
Rot. Bonds2

About 2-methyl-N-(oxomethylidene)benzenesulfonamide

2-methyl-N-(oxomethylidene)benzenesulfonamide (PubChem CID 2733313) has the molecular formula C8H7NO3S and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-methyl-N-(oxomethylidene)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(oxomethylidene)benzenesulfonamide
PubChem CID2733313
Molecular FormulaC8H7NO3S
Molecular Weight197.22 g/mol
Exact Mass197.01
IUPAC Name2-methyl-N-(oxomethylidene)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N=C=O
InChIInChI=1S/C8H7NO3S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10/h2-5H,1H3
InChIKeyHEBTZZBBPUFAFE-UHFFFAOYSA-N
XLogP1.02
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxomethylidene)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(oxomethylidene)benzenesulfonamide (CID 2733313) is 2-methyl-N-(oxomethylidene)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(oxomethylidene)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(oxomethylidene)benzenesulfonamide is Cc1ccccc1S(=O)(=O)N=C=O.
What is the InChIKey of 2-methyl-N-(oxomethylidene)benzenesulfonamide?
The InChIKey is HEBTZZBBPUFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10/h2-5H,1H3.
What are the key properties of 2-methyl-N-(oxomethylidene)benzenesulfonamide?
2-methyl-N-(oxomethylidene)benzenesulfonamide has a molecular weight of 197.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxomethylidene)benzenesulfonamide is sourced from PubChem (CID 2733313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).