N-(2-formyl-3-methylphenyl)methanesulfonamide

C9H11NO3S — CID 131493988

IUPACN-(2-formyl-3-methylphenyl)methanesulfonamide
SMILESCc1cccc(NS(C)(=O)=O)c1C=O
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-9(8(7)6-11)10-14(2,12)13/h3-6,10H,1-2H3
InChIKeyZJYRNGMVSPSHOM-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.18
Rot. Bonds3

About N-(2-formyl-3-methylphenyl)methanesulfonamide

N-(2-formyl-3-methylphenyl)methanesulfonamide (PubChem CID 131493988) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(2-formyl-3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-formyl-3-methylphenyl)methanesulfonamide
PubChem CID131493988
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-(2-formyl-3-methylphenyl)methanesulfonamide
SMILESCc1cccc(NS(C)(=O)=O)c1C=O
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-9(8(7)6-11)10-14(2,12)13/h3-6,10H,1-2H3
InChIKeyZJYRNGMVSPSHOM-UHFFFAOYSA-N
XLogP1.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-formyl-3-methylphenyl)methanesulfonamide 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 N-(2-formyl-3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-formyl-3-methylphenyl)methanesulfonamide (CID 131493988) is N-(2-formyl-3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-formyl-3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-formyl-3-methylphenyl)methanesulfonamide is Cc1cccc(NS(C)(=O)=O)c1C=O.
What is the InChIKey of N-(2-formyl-3-methylphenyl)methanesulfonamide?
The InChIKey is ZJYRNGMVSPSHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7-4-3-5-9(8(7)6-11)10-14(2,12)13/h3-6,10H,1-2H3.
What are the key properties of N-(2-formyl-3-methylphenyl)methanesulfonamide?
N-(2-formyl-3-methylphenyl)methanesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 131493988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).