formaldehyde;2-methylbenzenesulfonamide

C8H11NO3S — CID 6451253

IUPACformaldehyde;2-methylbenzenesulfonamide
SMILESC=O.Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO2S.CH2O/c1-6-4-2-3-5-7(6)11(8,9)10;1-2/h2-5H,1H3,(H2,8,9,10);1H2
InChIKeyMLPPCNAMIJBJPC-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.46
Rot. Bonds1

About formaldehyde;2-methylbenzenesulfonamide

formaldehyde;2-methylbenzenesulfonamide (PubChem CID 6451253) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is formaldehyde;2-methylbenzenesulfonamide.

Molecular Properties

Compound Nameformaldehyde;2-methylbenzenesulfonamide
PubChem CID6451253
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Nameformaldehyde;2-methylbenzenesulfonamide
SMILESC=O.Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO2S.CH2O/c1-6-4-2-3-5-7(6)11(8,9)10;1-2/h2-5H,1H3,(H2,8,9,10);1H2
InChIKeyMLPPCNAMIJBJPC-UHFFFAOYSA-N
XLogP0.46
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze formaldehyde;2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methylbenzenesulfonamide?
The IUPAC name of formaldehyde;2-methylbenzenesulfonamide (CID 6451253) is formaldehyde;2-methylbenzenesulfonamide.
What is the SMILES notation for formaldehyde;2-methylbenzenesulfonamide?
The canonical SMILES for formaldehyde;2-methylbenzenesulfonamide is C=O.Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of formaldehyde;2-methylbenzenesulfonamide?
The InChIKey is MLPPCNAMIJBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.CH2O/c1-6-4-2-3-5-7(6)11(8,9)10;1-2/h2-5H,1H3,(H2,8,9,10);1H2.
What are the key properties of formaldehyde;2-methylbenzenesulfonamide?
formaldehyde;2-methylbenzenesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methylbenzenesulfonamide is sourced from PubChem (CID 6451253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).