3-(3,5-dimethylphenyl)benzenesulfonamide

C14H15NO2S — CID 140585676

IUPAC3-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(-c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H15NO2S/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(9-12)18(15,16)17/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyLMGRWRXYMZVXBQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.62
Rot. Bonds2

About 3-(3,5-dimethylphenyl)benzenesulfonamide

3-(3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 140585676) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)benzenesulfonamide
PubChem CID140585676
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name3-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(-c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H15NO2S/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(9-12)18(15,16)17/h3-9H,1-2H3,(H2,15,16,17)
InChIKeyLMGRWRXYMZVXBQ-UHFFFAOYSA-N
XLogP2.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 3-(3,5-dimethylphenyl)benzenesulfonamide (CID 140585676) is 3-(3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)cc(-c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is LMGRWRXYMZVXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(9-12)18(15,16)17/h3-9H,1-2H3,(H2,15,16,17).
What are the key properties of 3-(3,5-dimethylphenyl)benzenesulfonamide?
3-(3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 140585676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).