2-methyl-6-phenylbenzenesulfonamide

C13H13NO2S — CID 118598398

IUPAC2-methyl-6-phenylbenzenesulfonamide
SMILESCc1cccc(-c2ccccc2)c1S(N)(=O)=O
InChIInChI=1S/C13H13NO2S/c1-10-6-5-9-12(13(10)17(14,15)16)11-7-3-2-4-8-11/h2-9H,1H3,(H2,14,15,16)
InChIKeyHJRUFJKWRVTNDE-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-6-phenylbenzenesulfonamide

2-methyl-6-phenylbenzenesulfonamide (PubChem CID 118598398) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-6-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-6-phenylbenzenesulfonamide
PubChem CID118598398
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name2-methyl-6-phenylbenzenesulfonamide
SMILESCc1cccc(-c2ccccc2)c1S(N)(=O)=O
InChIInChI=1S/C13H13NO2S/c1-10-6-5-9-12(13(10)17(14,15)16)11-7-3-2-4-8-11/h2-9H,1H3,(H2,14,15,16)
InChIKeyHJRUFJKWRVTNDE-UHFFFAOYSA-N
XLogP2.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylbenzenesulfonamide?
The IUPAC name of 2-methyl-6-phenylbenzenesulfonamide (CID 118598398) is 2-methyl-6-phenylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-6-phenylbenzenesulfonamide?
The canonical SMILES for 2-methyl-6-phenylbenzenesulfonamide is Cc1cccc(-c2ccccc2)c1S(N)(=O)=O.
What is the InChIKey of 2-methyl-6-phenylbenzenesulfonamide?
The InChIKey is HJRUFJKWRVTNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-6-5-9-12(13(10)17(14,15)16)11-7-3-2-4-8-11/h2-9H,1H3,(H2,14,15,16).
What are the key properties of 2-methyl-6-phenylbenzenesulfonamide?
2-methyl-6-phenylbenzenesulfonamide has a molecular weight of 247.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylbenzenesulfonamide is sourced from PubChem (CID 118598398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).