4-methyl-N-phenylmethoxybenzenesulfonamide

C14H15NO3S — CID 3847322

IUPAC4-methyl-N-phenylmethoxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c1-12-7-9-14(10-8-12)19(16,17)15-18-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyBIVFBEGRHVKMIS-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.41
Rot. Bonds5

About 4-methyl-N-phenylmethoxybenzenesulfonamide

4-methyl-N-phenylmethoxybenzenesulfonamide (PubChem CID 3847322) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-methyl-N-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-phenylmethoxybenzenesulfonamide
PubChem CID3847322
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name4-methyl-N-phenylmethoxybenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C14H15NO3S/c1-12-7-9-14(10-8-12)19(16,17)15-18-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyBIVFBEGRHVKMIS-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylmethoxybenzenesulfonamide?
The IUPAC name of 4-methyl-N-phenylmethoxybenzenesulfonamide (CID 3847322) is 4-methyl-N-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 4-methyl-N-phenylmethoxybenzenesulfonamide is Cc1ccc(S(=O)(=O)NOCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-phenylmethoxybenzenesulfonamide?
The InChIKey is BIVFBEGRHVKMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-12-7-9-14(10-8-12)19(16,17)15-18-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3.
What are the key properties of 4-methyl-N-phenylmethoxybenzenesulfonamide?
4-methyl-N-phenylmethoxybenzenesulfonamide has a molecular weight of 277.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 3847322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).