4-(2-methylphenyl)benzenesulfonamide

C13H13NO2S — CID 68833705

IUPAC4-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)
InChIKeyYPAQIAZVIPIPPM-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.31
Rot. Bonds2

About 4-(2-methylphenyl)benzenesulfonamide

4-(2-methylphenyl)benzenesulfonamide (PubChem CID 68833705) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylphenyl)benzenesulfonamide
PubChem CID68833705
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name4-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)
InChIKeyYPAQIAZVIPIPPM-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 4-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylphenyl)benzenesulfonamide (CID 68833705) is 4-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-methylphenyl)benzenesulfonamide?
The InChIKey is YPAQIAZVIPIPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16).
What are the key properties of 4-(2-methylphenyl)benzenesulfonamide?
4-(2-methylphenyl)benzenesulfonamide 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 4-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 68833705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).