N-(2-formyl-3-methylphenyl)propane-1-sulfonamide

C11H15NO3S — CID 135045440

IUPACN-(2-formyl-3-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C)c1C=O
InChIInChI=1S/C11H15NO3S/c1-3-7-16(14,15)12-11-6-4-5-9(2)10(11)8-13/h4-6,8,12H,3,7H2,1-2H3
InChIKeyAGZNUKZTHFFGSA-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.96
Rot. Bonds5

About N-(2-formyl-3-methylphenyl)propane-1-sulfonamide

N-(2-formyl-3-methylphenyl)propane-1-sulfonamide (PubChem CID 135045440) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2-formyl-3-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-formyl-3-methylphenyl)propane-1-sulfonamide
PubChem CID135045440
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(2-formyl-3-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(C)c1C=O
InChIInChI=1S/C11H15NO3S/c1-3-7-16(14,15)12-11-6-4-5-9(2)10(11)8-13/h4-6,8,12H,3,7H2,1-2H3
InChIKeyAGZNUKZTHFFGSA-UHFFFAOYSA-N
XLogP1.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-3-methylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-formyl-3-methylphenyl)propane-1-sulfonamide (CID 135045440) is N-(2-formyl-3-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-formyl-3-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-formyl-3-methylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(C)c1C=O.
What is the InChIKey of N-(2-formyl-3-methylphenyl)propane-1-sulfonamide?
The InChIKey is AGZNUKZTHFFGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-3-7-16(14,15)12-11-6-4-5-9(2)10(11)8-13/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of N-(2-formyl-3-methylphenyl)propane-1-sulfonamide?
N-(2-formyl-3-methylphenyl)propane-1-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.96, 5 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)propane-1-sulfonamide is sourced from PubChem (CID 135045440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).